Evaluation of CAPRI Experiment, Round 37

Claudio Mirabello and Björn Wallner
Linköping University

In order to rank all the groups that have participated to CAPRI37, we calculate the DockQ score for each model. This is done with a simple formula to combine fnat, lrmsd and irmsd as calculated by the CAPRI committee.

Click here to read more on how the DockQ score is calculated and how it correlates with the CAPRI classification.

Following the criteria already applied in CASP, we calculate the DockQ scores for each top 1 model as submitted by the predictors as well as across all submitted models.

The DockQ scores have been summed up across all target interfaces (column "Sum_DockQ" in the "Overall Ranking" table). We also calculate and sum up the Z-score (column Sum_Zscore). When computing Sum_Zscore, whenever the Z-score for a model is negative, we assume Z-score = 0. Whenever a model is obviously wrong (DockQ score under 0.15), we also assume Z-score = 0 to avoid skewing the results when all groups have submitted bad models.

Separate tables with the scores for each target dimer follow.


Results for Rank 1 models

Overall Ranking (best submitted model)

Sort by CAPRI Sort by Sum_DockQ Group Sum_DockQ Sum_Zscore totModels nAcceptable nMedium nHigh nAcceptableOrBetterâ–¾ Kihara 5.965800 21.134300 143 3 4 2 9 Grudinin 5.510700 11.180900 150 5 2 2 9 CLUSPRO 4.803100 9.770900 170 5 3 1 9 Venclovas 5.870300 12.993800 100 1 3 4 8 S.Huang 6.050900 14.478000 170 3 1 4 8 Vakser 6.272400 13.894900 170 1 4 3 8 Seok 6.019200 15.806700 170 2 3 3 8 Zacharias 5.397200 9.443400 170 3 2 3 8 S.Zou 5.954700 15.009300 170 3 2 3 8 S.Grudinin 5.793200 15.982000 170 3 2 3 8 S.Bonvin 6.055800 13.807200 170 3 2 3 8 Guerois 6.044500 14.279400 170 3 2 3 8 Zou 5.779200 14.817300 160 3 2 3 8 SWARMDOCK 4.924500 5.961100 170 4 1 3 8 Wallner (InterPred) 4.956500 6.485500 102 4 1 3 8 Shen 5.462600 8.249000 170 2 4 2 8 S.Fernandez-Recio 5.940100 20.526200 170 2 4 2 8 S.LZERD 5.840700 14.486600 160 2 4 2 8 Fernandez-Recio 5.248100 9.174400 165 3 3 2 8 S.Moal 5.901600 16.965500 152 3 3 2 8 HADDOCK 5.543900 10.723200 170 4 2 2 8 S.Oliva 5.532100 10.741200 169 4 2 2 8 Vajda,Kozakov 4.664000 9.272300 160 3 4 1 8 Gray 4.844000 6.847800 160 4 3 1 8 S.Venclovas 5.786200 13.829300 170 2 1 4 7 Takeda-Shitaka 5.588700 17.206500 170 2 2 3 7 S.Chang 5.735600 12.423600 170 2 2 3 7 S.SWARMDOCK 5.900500 11.983100 165 2 2 3 7 S.Weng 5.540800 11.972000 160 2 2 3 7 Eisenstein 5.485100 11.982500 129 2 2 3 7 Huang 4.806900 8.000600 163 1 4 2 7 S.Seok 5.574600 9.536000 170 2 3 2 7 LZERD 5.276100 9.663100 143 2 3 2 7 Negi 4.439600 4.604900 101 2 4 1 7 Weng 4.697600 5.629800 163 2 1 3 6 Iwadate 4.292700 5.980300 47 0 4 2 6 S.Vakser 4.797000 9.694700 160 0 2 3 5 S.Kihara 4.222600 5.643200 168 1 3 1 5 S.Negi 3.331200 3.814200 84 1 4 0 5 Chang 3.317400 5.086700 150 1 3 0 4 S.Gray 2.697100 7.069300 130 1 1 1 3 GRAMM-X 2.122500 2.275900 150 0 1 1 2 Schneidman 1.532900 2.224100 20 0 1 1 2 Ritchie 1.942900 4.838700 160 1 1 0 2 DelCarpio 1.474200 0.778100 150 1 1 0 2 Moal 1.545500 4.815400 170 1 0 0 1 ZDOCK 0.094600 0.000000 30 0 0 0 0 Fernandez-Fuentes 0.159700 0.000000 30 0 0 0 0 EMBOworkshop 0.231100 0.721300 8 0 0 0 0

Rankings by target

Target: T110.1

Group Model DockQ Zscore Classification nclash fnat fnonnat lrmsd irmsdbb irmsdsc Kihara M01 0.7114 1.6868 medium 6/ 51 0.8052 0.2530 3.4829 1.5843 3.0006 Kihara M02 0.7065 1.6637 medium 6/ 51 0.7922 0.2561 3.4887 1.5877 3.0226 Gray M04 0.6770 1.5219 medium 1/ 51 0.6735 0.2500 2.3467 1.7329 3.0214 Gray M07 0.6756 1.5152 medium 4/ 51 0.6939 0.2609 2.6790 1.7508 3.0487 GRAMM-X M01 0.6597 1.4388 medium 18/ 51 0.6364 0.3378 2.6127 1.7306 3.0216 Vakser M07 0.6493 1.3892 medium 3/ 51 0.6234 0.2941 3.5981 1.5719 3.1149 Vakser M08 0.6384 1.3364 medium 3/ 51 0.6234 0.2836 3.9304 1.5999 3.1374 Schneidman M02 0.6376 1.3329 clashes,medium 75/ 51 0.7273 0.4563 4.1185 1.9336 3.1741 Venclovas M01 0.6335 1.3132 medium 10/ 51 0.6883 0.4804 4.5310 1.7147 3.1714 Gray M03 0.6306 1.2991 medium 1/ 51 0.5455 0.2881 2.4531 1.7516 3.0830 Schneidman M01 0.6248 1.2712 clashes,medium 116/ 51 0.7143 0.4149 4.7925 1.8325 3.2485 Venclovas M02 0.6169 1.2335 medium 22/ 51 0.6364 0.4556 4.5710 1.6969 3.1302 Guerois M01 0.6111 1.2058 medium 6/ 51 0.5714 0.3433 2.7736 2.0079 3.8837 Guerois M04 0.6097 1.1991 medium 8/ 51 0.5974 0.3030 3.3622 1.9697 3.8620 Vakser M05 0.6092 1.1965 medium 12/ 51 0.5844 0.3750 3.5962 1.8564 3.2000 Guerois M10 0.6030 1.1668 medium 7/ 51 0.5195 0.3750 2.6036 1.9354 3.8294 Vakser M06 0.6025 1.1644 medium 11/ 51 0.5844 0.3836 3.8104 1.8742 3.2067 S.Gray M06 0.5976 1.1410 medium 5/ 51 0.4800 0.4462 2.9657 1.7576 3.5158 Kihara M03 0.5931 1.1195 medium 5/ 51 0.6364 0.3636 4.3385 2.0456 3.8533 Venclovas M03 0.5909 1.1086 medium 37/ 51 0.5844 0.4643 4.2925 1.8704 3.2380 S.Seok M03 0.5835 1.0731 medium 5/ 51 0.5195 0.4805 3.3401 1.9798 3.7639 S.Seok M02 0.5821 1.0666 medium 8/ 51 0.5584 0.4941 4.3765 1.8466 3.5504 Gray M01 0.5704 1.0106 medium 1/ 51 0.4286 0.3125 3.1183 1.8320 3.1706 Schneidman M04 0.5675 0.9966 medium 29/ 51 0.5065 0.4429 4.1933 1.8688 3.2221 S.Seok M08 0.5659 0.9890 medium 9/ 51 0.4805 0.5375 3.3873 2.0246 3.7420 S.Seok M06 0.5636 0.9776 medium 9/ 51 0.4545 0.5070 3.2596 1.9809 3.7804 S.Seok M05 0.5630 0.9749 medium 8/ 51 0.4675 0.5714 3.3093 2.0300 3.8158 S.Gray M03 0.5618 0.9693 medium 4/ 51 0.4133 0.5441 2.7417 1.9722 3.7654 S.Zou M01 0.5601 0.9609 medium 5/ 51 0.5195 0.5455 4.5151 1.9125 3.6439 S.Venclovas M02 0.5601 0.9609 medium 5/ 51 0.5195 0.5455 4.5151 1.9125 3.6439 S.SWARMDOCK M10 0.5601 0.9609 medium 5/ 51 0.5195 0.5455 4.5151 1.9125 3.6439 S.Negi M18 0.5601 0.9609 medium 5/ 51 0.5195 0.5455 4.5151 1.9125 3.6439 S.Huang M01 0.5601 0.9609 medium 5/ 51 0.5195 0.5455 4.5151 1.9125 3.6439 Seok M06 0.5601 0.9609 medium 5/ 51 0.5195 0.5455 4.5151 1.9125 3.6439 S.Chang M01 0.5601 0.9609 medium 5/ 51 0.5195 0.5455 4.5151 1.9125 3.6439 S.Fernandez-Recio M01 0.5587 0.9543 medium 7/ 51 0.5195 0.5506 4.5411 1.9213 3.6792 Takeda-Shitaka M05 0.5578 0.9498 medium 19/ 51 0.5065 0.4868 3.7707 2.1313 4.0248 Guerois M08 0.5576 0.9487 medium 9/ 51 0.5195 0.3103 4.2690 2.0237 4.0269 S.Venclovas M04 0.5571 0.9464 medium 5/ 51 0.4805 0.4789 3.6800 2.0506 3.8172 S.Negi M14 0.5571 0.9464 medium 5/ 51 0.4805 0.4789 3.6800 2.0506 3.8172 Seok M01 0.5571 0.9464 medium 5/ 51 0.4805 0.4789 3.6800 2.0506 3.8172 S.LZERD M07 0.5565 0.9435 medium 9/ 51 0.4805 0.4789 3.6936 2.0543 3.8333 Guerois M06 0.5559 0.9406 medium 7/ 51 0.4935 0.3871 3.4163 2.2214 4.0922 S.LZERD M08 0.5548 0.9355 medium 6/ 51 0.5065 0.5244 4.5229 1.9218 3.4348 S.Moal M01 0.5534 0.9289 medium 18/ 51 0.4675 0.4930 3.4837 2.1058 3.8722 S.Negi M21 0.5531 0.9272 medium 7/ 51 0.4675 0.5135 3.6003 2.0722 3.8025 S.Huang M06 0.5531 0.9272 medium 7/ 51 0.4675 0.5135 3.6003 2.0722 3.8025 Seok M08 0.5531 0.9272 medium 7/ 51 0.4675 0.5135 3.6003 2.0722 3.8025 S.Venclovas M07 0.5527 0.9252 medium 7/ 51 0.4675 0.5200 3.5986 2.0784 3.7377 S.Negi M20 0.5527 0.9252 medium 7/ 51 0.4675 0.5200 3.5986 2.0784 3.7377 Seok M07 0.5527 0.9252 medium 7/ 51 0.4675 0.5200 3.5986 2.0784 3.7377 S.LZERD M09 0.5521 0.9225 medium 9/ 51 0.4675 0.4930 3.6071 2.0835 3.7438 S.Weng M01 0.5514 0.9193 medium 6/ 51 0.4935 0.5250 4.5151 1.9125 3.6967 Schneidman M10 0.5506 0.9151 clashes,medium 59/ 51 0.4805 0.4394 4.1432 1.9864 3.3377 S.Grudinin M06 0.5495 0.9102 medium 2/ 51 0.4675 0.4783 3.7133 2.0838 3.8183 S.Negi M30 0.5494 0.9098 medium 7/ 51 0.4805 0.5067 3.7283 2.1413 3.8229 S.Huang M09 0.5494 0.9098 medium 7/ 51 0.4805 0.5067 3.7283 2.1413 3.8229 Seok M09 0.5494 0.9098 medium 7/ 51 0.4805 0.5067 3.7283 2.1413 3.8229 S.LZERD M04 0.5480 0.9030 medium 10/ 51 0.4545 0.5070 3.6123 2.0781 3.8508 Guerois M07 0.5451 0.8891 medium 5/ 51 0.4675 0.4194 3.5920 2.1897 3.9504 S.Weng M09 0.5451 0.8890 medium 5/ 51 0.4675 0.5385 3.7283 2.1413 3.7846 S.Gray M02 0.5446 0.8867 medium 8/ 51 0.4267 0.5362 3.5872 2.0071 3.7236 S.Negi M31 0.5445 0.8860 clashes,medium 59/ 51 0.4805 0.4932 3.4266 2.3316 4.3380 CLUSPRO M01 0.5444 0.8857 medium 20/ 51 0.4675 0.5443 3.3239 2.2999 4.1587 S.Weng M07 0.5426 0.8768 medium 5/ 51 0.4545 0.5139 3.7164 2.1198 3.8012 Shen M05 0.5423 0.8755 medium 7/ 51 0.4026 0.5974 2.9934 2.1153 4.0507 S.Bonvin M03 0.5422 0.8750 medium 9/ 51 0.4533 0.5278 3.6973 2.1260 3.8053 Guerois M02 0.5411 0.8696 medium 8/ 51 0.5065 0.4000 3.9422 2.3259 4.1678 S.Seok M09 0.5402 0.8655 medium 6/ 51 0.4675 0.5200 3.7944 2.1901 3.9168 S.Venclovas M10 0.5383 0.8561 medium 5/ 51 0.4416 0.5211 3.7164 2.1198 3.8115 S.Negi M15 0.5383 0.8561 medium 5/ 51 0.4416 0.5211 3.7164 2.1198 3.8115 Seok M02 0.5383 0.8561 medium 5/ 51 0.4416 0.5211 3.7164 2.1198 3.8115 S.LZERD M03 0.5379 0.8544 medium 11/ 51 0.4416 0.5278 3.7186 2.1242 3.8708 S.Grudinin M08 0.5374 0.8520 medium 2/ 51 0.4416 0.5143 3.7930 2.1055 3.8146 S.Grudinin M07 0.5360 0.8451 medium 1/ 51 0.4545 0.4615 4.0310 2.1039 3.8475 Vakser M09 0.5356 0.8432 medium 18/ 51 0.4675 0.5443 3.8261 2.2502 4.3824 Zacharias M03 0.5342 0.8364 medium 0/ 51 0.4545 0.5333 3.7609 2.2291 4.3033 Zacharias M01 0.5338 0.8350 medium 1/ 51 0.4545 0.5139 3.7750 2.2286 4.2961 S.LZERD M06 0.5327 0.8293 medium 10/ 51 0.4286 0.5541 3.7253 2.1348 3.8256 Takeda-Shitaka M06 0.5324 0.8280 medium 17/ 51 0.4545 0.5000 3.9624 2.1807 3.8753 S.Seok M04 0.5320 0.8260 medium 5/ 51 0.4935 0.5128 4.7746 2.0792 3.8014 Takeda-Shitaka M01 0.5310 0.8211 medium 13/ 51 0.5065 0.4265 4.1171 2.4269 4.5769 Zacharias M02 0.5305 0.8191 medium 3/ 51 0.4416 0.5405 3.7309 2.2296 4.3108 S.LZERD M10 0.5302 0.8173 medium 5/ 51 0.4545 0.4262 4.2771 2.0992 3.5445 LZERD M02 0.5299 0.8158 medium 9/ 51 0.4416 0.5641 3.8371 2.2004 4.2864 Kihara M07 0.5299 0.8158 medium 9/ 51 0.4416 0.5641 3.8371 2.2004 4.2864 LZERD M05 0.5290 0.8119 medium 12/ 51 0.4416 0.5696 3.8518 2.2075 4.3072 LZERD M01 0.5289 0.8114 medium 9/ 51 0.4416 0.5405 3.8453 2.2116 4.2297 Kihara M04 0.5289 0.8114 medium 9/ 51 0.4416 0.5405 3.8453 2.2116 4.2297 LZERD M04 0.5289 0.8111 medium 10/ 51 0.4416 0.5584 3.8521 2.2098 4.2072 Kihara M05 0.5289 0.8111 medium 10/ 51 0.4416 0.5584 3.8521 2.2098 4.2072 Takeda-Shitaka M07 0.5269 0.8015 medium 9/ 51 0.4935 0.4571 4.1678 2.3999 4.6286 LZERD M03 0.5263 0.7988 medium 10/ 51 0.4286 0.5714 3.8255 2.1929 4.2835 Kihara M06 0.5263 0.7988 medium 10/ 51 0.4286 0.5714 3.8255 2.1929 4.2835 Shen M10 0.5262 0.7983 medium 8/ 51 0.4286 0.5075 3.7699 2.2152 4.3245 S.Grudinin M01 0.5260 0.7972 medium 2/ 51 0.4545 0.5333 4.8174 1.9719 3.6741 Schneidman M08 0.5249 0.7920 clashes,medium 72/ 51 0.3506 0.5781 3.1116 2.0795 3.7794 Huang M05 0.5240 0.7879 medium 23/ 51 0.4026 0.4364 3.2181 2.3196 4.2414 S.Zou M05 0.5230 0.7831 medium 4/ 51 0.4286 0.5286 4.2660 2.0819 3.7333 S.Venclovas M08 0.5230 0.7831 medium 4/ 51 0.4286 0.5286 4.2660 2.0819 3.7333 S.Negi M05 0.5230 0.7831 medium 4/ 51 0.4286 0.5286 4.2660 2.0819 3.7333 S.Huang M04 0.5230 0.7831 medium 4/ 51 0.4286 0.5286 4.2660 2.0819 3.7333 Seok M05 0.5230 0.7831 medium 4/ 51 0.4286 0.5286 4.2660 2.0819 3.7333 Shen M04 0.5215 0.7758 medium 7/ 51 0.3896 0.5312 3.1903 2.3000 4.4119 Eisenstein M02 0.5214 0.7755 medium 6/ 51 0.4545 0.5070 4.1021 2.2981 4.2651 Eisenstein M01 0.5206 0.7715 medium 4/ 51 0.4545 0.4928 4.1255 2.3020 4.2756 Guerois M05 0.5172 0.7549 medium 7/ 51 0.3896 0.4545 3.3812 2.2994 4.2709 Vakser M10 0.5149 0.7441 medium 18/ 51 0.4286 0.5658 4.0648 2.2792 4.4044 Takeda-Shitaka M03 0.5098 0.7198 medium 5/ 51 0.4286 0.4923 4.1592 2.3238 4.5700 Negi M08 0.5096 0.7184 medium 7/ 51 0.4156 0.5152 3.6341 2.4813 4.4038 Negi M09 0.5094 0.7175 medium 7/ 51 0.4156 0.5152 3.6179 2.4923 4.4110 Negi M10 0.5094 0.7175 medium 7/ 51 0.4156 0.5077 3.6049 2.4986 4.4143 Takeda-Shitaka M04 0.5084 0.7127 medium 20/ 51 0.4286 0.5769 4.1549 2.3508 4.4624 Shen M08 0.5081 0.7112 medium 15/ 51 0.3636 0.5625 3.6799 2.1946 4.2642 Shen M06 0.5080 0.7112 medium 11/ 51 0.3766 0.5735 4.0770 2.1154 4.2354 Takeda-Shitaka M02 0.5077 0.7094 medium 14/ 51 0.4416 0.5342 4.1673 2.4343 4.6690 S.LZERD M05 0.5068 0.7051 medium 9/ 51 0.5065 0.5517 4.9218 2.4985 3.9850 S.Zou M04 0.5059 0.7011 medium 8/ 51 0.4935 0.5581 4.8935 2.4462 3.9934 S.Venclovas M01 0.5059 0.7011 medium 8/ 51 0.4935 0.5581 4.8935 2.4462 3.9934 Seok M03 0.5059 0.7011 medium 8/ 51 0.4935 0.5581 4.8935 2.4462 3.9934 S.Weng M08 0.5057 0.6999 medium 4/ 51 0.3766 0.5246 4.2660 2.0819 3.6465 Shen M03 0.5046 0.6948 medium 6/ 51 0.4156 0.5362 4.5592 2.1778 4.2990 S.Zou M02 0.5034 0.6891 medium 9/ 51 0.4805 0.5698 4.8005 2.4562 4.0090 S.Weng M04 0.5034 0.6891 medium 11/ 51 0.4805 0.5698 4.8005 2.4562 3.9171 S.Venclovas M03 0.5034 0.6891 medium 9/ 51 0.4805 0.5698 4.8005 2.4562 4.0090 S.Negi M34 0.5034 0.6891 medium 9/ 51 0.4805 0.5698 4.8005 2.4562 4.0090 S.Huang M03 0.5034 0.6891 medium 9/ 51 0.4805 0.5698 4.8005 2.4562 4.0090 Seok M10 0.5034 0.6891 medium 9/ 51 0.4805 0.5698 4.8005 2.4562 4.0090 S.Chang M02 0.5034 0.6891 medium 9/ 51 0.4805 0.5698 4.8005 2.4562 4.0090 Huang M04 0.5032 0.6877 medium 21/ 51 0.3896 0.4340 3.7357 2.3949 4.4144 S.Weng M05 0.5028 0.6862 medium 9/ 51 0.4935 0.5824 4.9287 2.4876 3.9666 S.Seok M10 0.5020 0.6821 medium 12/ 51 0.4675 0.5909 4.6182 2.4893 4.0269 Negi M07 0.5016 0.6805 medium 7/ 51 0.3896 0.5385 3.6469 2.4614 4.3904 S.Bonvin M04 0.5016 0.6800 medium 9/ 51 0.4800 0.5663 4.8793 2.4508 3.9865 Negi M01 0.5006 0.6754 medium 4/ 51 0.3636 0.6267 3.8305 2.2536 4.2364 Negi M02 0.4998 0.6716 medium 4/ 51 0.3636 0.5758 3.7240 2.3087 4.2674 S.Bonvin M02 0.4985 0.6655 medium 12/ 51 0.4800 0.5909 4.9102 2.4930 3.9714 S.Zou M03 0.4985 0.6654 medium 10/ 51 0.4805 0.5889 4.9287 2.4876 3.9790 S.Venclovas M06 0.4985 0.6654 medium 10/ 51 0.4805 0.5889 4.9287 2.4876 3.9790 Seok M04 0.4985 0.6654 medium 10/ 51 0.4805 0.5889 4.9288 2.4876 3.9790 Negi M03 0.4985 0.6652 medium 4/ 51 0.3636 0.5484 3.7004 2.3406 4.2952 S.Seok M01 0.4982 0.6637 medium 10/ 51 0.4675 0.6000 4.8229 2.4631 3.9874 S.Weng M06 0.4973 0.6595 medium 8/ 51 0.4675 0.5556 4.8935 2.4462 3.9282 Shen M07 0.4969 0.6579 medium 12/ 51 0.3636 0.5758 3.9983 2.2463 4.2913 Takeda-Shitaka M08 0.4967 0.6567 medium 14/ 51 0.4156 0.5224 4.2933 2.4188 4.5686 S.Seok M07 0.4967 0.6567 medium 10/ 51 0.4675 0.5909 4.7931 2.5056 3.9897 Negi M05 0.4966 0.6560 medium 7/ 51 0.3636 0.5484 3.6457 2.3967 4.3471 S.LZERD M02 0.4949 0.6481 medium 12/ 51 0.4545 0.5732 4.7981 2.4550 4.0211 Negi M06 0.4948 0.6477 medium 7/ 51 0.3636 0.5625 3.6414 2.4298 4.3700 S.Bonvin M01 0.4945 0.6464 medium 10/ 51 0.4533 0.5854 4.7847 2.4605 3.9957 Negi M04 0.4937 0.6425 medium 5/ 51 0.3506 0.5574 3.6548 2.3664 4.3175 Huang M02 0.4918 0.6334 medium 26/ 51 0.4026 0.4561 4.3859 2.3865 4.3641 Shen M02 0.4915 0.6320 medium 6/ 51 0.3117 0.6620 3.6542 2.1920 4.1275 S.Grudinin M03 0.4901 0.6249 medium 2/ 51 0.3766 0.5167 4.6921 2.1511 3.7517 S.LZERD M01 0.4884 0.6169 medium 13/ 51 0.4416 0.5750 4.8894 2.4526 4.0320 S.Grudinin M05 0.4880 0.6150 medium 6/ 51 0.4416 0.5641 4.9140 2.4483 4.0141 S.Grudinin M02 0.4857 0.6041 acceptable 5/ 51 0.4545 0.5513 5.1426 2.4622 4.0017 S.Gray M07 0.4849 0.6002 acceptable 10/ 51 0.4800 0.5443 5.1494 2.6458 3.9998 Shen M01 0.4847 0.5991 medium 9/ 51 0.3896 0.6296 3.8872 2.6881 4.8912 Shen M09 0.4842 0.5967 medium 5/ 51 0.3377 0.4902 4.1354 2.2576 4.3630 S.Negi M02 0.4816 0.5843 medium 0/ 51 0.3506 0.5781 4.0529 2.4087 4.8670 Fernandez-Recio M02 0.4816 0.5843 medium 0/ 51 0.3506 0.5781 4.0529 2.4087 4.8670 Gray M02 0.4815 0.5838 acceptable 0/ 51 0.2857 0.3889 4.1081 2.0525 3.3477 Zou M04 0.4763 0.5589 medium 8/ 51 0.4026 0.5694 4.3389 2.7209 5.0224 S.Negi M26 0.4763 0.5589 medium 8/ 51 0.4026 0.5694 4.3389 2.7209 5.0224 S.Chang M10 0.4763 0.5589 medium 8/ 51 0.4026 0.5694 4.3389 2.7209 5.0224 S.Grudinin M04 0.4762 0.5584 acceptable 5/ 51 0.4286 0.5541 5.1108 2.4944 4.0012 LZERD M06 0.4739 0.5475 acceptable 12/ 51 0.4416 0.6495 5.0659 2.6526 4.6782 Kihara M09 0.4739 0.5475 acceptable 12/ 51 0.4416 0.6495 5.0659 2.6526 4.6782 LZERD M07 0.4739 0.5471 acceptable 9/ 51 0.4416 0.6458 5.0703 2.6518 4.6657 LZERD M08 0.4731 0.5436 acceptable 13/ 51 0.4416 0.6458 5.0920 2.6555 4.6952 Kihara M08 0.4731 0.5436 acceptable 13/ 51 0.4416 0.6458 5.0920 2.6555 4.6952 Zou M07 0.4709 0.5330 medium 11/ 51 0.3896 0.5775 4.4690 2.6713 4.9350 S.Zou M08 0.4709 0.5330 medium 11/ 51 0.3896 0.5775 4.4690 2.6713 4.9350 S.Negi M25 0.4709 0.5330 medium 11/ 51 0.3896 0.5775 4.4690 2.6713 4.9350 S.Huang M08 0.4709 0.5330 medium 11/ 51 0.3896 0.5775 4.4690 2.6713 4.9350 S.Chang M04 0.4709 0.5330 medium 11/ 51 0.3896 0.5775 4.4690 2.6713 4.9350 LZERD M10 0.4694 0.5259 acceptable 11/ 51 0.4286 0.6250 5.0685 2.6548 4.6394 Zou M05 0.4684 0.5210 medium 8/ 51 0.3766 0.6705 4.3924 2.6735 4.9269 S.Zou M10 0.4684 0.5210 medium 8/ 51 0.3766 0.6705 4.3924 2.6735 4.9269 S.Negi M12 0.4684 0.5210 medium 8/ 51 0.3766 0.6705 4.3924 2.6735 4.9269 S.Gray M04 0.4684 0.5210 acceptable 8/ 51 0.4400 0.5352 5.3591 2.6002 4.0141 Fernandez-Recio M01 0.4669 0.5139 medium 3/ 51 0.3377 0.6286 4.4055 2.4362 4.9130 Takeda-Shitaka M09 0.4652 0.5058 medium 17/ 51 0.3377 0.5667 4.2511 2.5430 5.0703 LZERD M09 0.4645 0.5023 acceptable 10/ 51 0.4156 0.6522 5.0842 2.6584 4.6084 Kihara M10 0.4645 0.5023 acceptable 10/ 51 0.4156 0.6522 5.0842 2.6584 4.6084 S.Grudinin M09 0.4622 0.4910 medium 4/ 51 0.3636 0.5692 4.4074 2.7080 4.9267 S.Zou M06 0.4551 0.4569 medium 6/ 51 0.3896 0.6341 4.8497 2.8149 5.0732 S.Negi M28 0.4551 0.4569 medium 6/ 51 0.3896 0.6341 4.8497 2.8149 5.0732 Zou M10 0.4551 0.4569 medium 6/ 51 0.3896 0.6341 4.8498 2.8149 5.0732 S.Huang M10 0.4551 0.4569 medium 6/ 51 0.3896 0.6341 4.8498 2.8149 5.0732 S.Gray M05 0.4503 0.4342 acceptable 12/ 51 0.4267 0.5616 5.6092 2.7628 4.0946 Zou M01 0.4498 0.4318 medium 11/ 51 0.3766 0.6282 4.8943 2.8088 5.0478 S.Zou M07 0.4498 0.4318 medium 11/ 51 0.3766 0.6282 4.8943 2.8088 5.0478 S.Negi M07 0.4498 0.4318 medium 11/ 51 0.3766 0.6282 4.8943 2.8088 5.0478 S.Chang M06 0.4498 0.4318 medium 11/ 51 0.3766 0.6282 4.8943 2.8088 5.0478 S.Kihara M01 0.4483 0.4244 acceptable 4/ 51 0.4133 0.5303 5.1656 2.9884 5.1940 Takeda-Shitaka M10 0.4455 0.4113 medium 10/ 51 0.3247 0.6094 4.7073 2.6215 5.1798 Zou M06 0.4450 0.4084 medium 8/ 51 0.3377 0.6338 4.7564 2.7018 5.1132 S.Negi M08 0.4450 0.4084 medium 8/ 51 0.3377 0.6338 4.7564 2.7018 5.1132 Zou M08 0.4449 0.4081 medium 9/ 51 0.3247 0.6212 4.5501 2.7240 5.3204 S.Negi M11 0.4449 0.4081 medium 9/ 51 0.3247 0.6212 4.5501 2.7240 5.3204 S.Chang M08 0.4449 0.4081 medium 9/ 51 0.3247 0.6212 4.5501 2.7240 5.3204 S.Gray M01 0.4439 0.4033 acceptable 7/ 51 0.4133 0.5571 5.4957 2.8817 4.2252 S.Fernandez-Recio M10 0.4428 0.3979 medium 3/ 51 0.3377 0.5806 3.7356 3.5365 5.0671 Zou M02 0.4419 0.3935 acceptable 11/ 51 0.2987 0.6761 4.4488 2.6555 5.1176 S.Negi M10 0.4419 0.3935 acceptable 11/ 51 0.2987 0.6761 4.4488 2.6555 5.1176 S.Negi M06 0.4416 0.3924 medium 4/ 51 0.3377 0.5439 3.7622 3.5569 5.0531 Huang M01 0.4385 0.3773 acceptable 7/ 51 0.2987 0.6567 4.5230 2.6888 5.1759 Vakser M01 0.4372 0.3713 medium 8/ 51 0.3117 0.6471 4.6207 2.7598 5.2449 S.SWARMDOCK M01 0.4333 0.3526 acceptable 3/ 51 0.3600 0.5846 5.1193 2.9438 5.2137 S.Oliva M08 0.4333 0.3526 acceptable 3/ 51 0.3600 0.5846 5.1193 2.9438 5.2137 Vakser M03 0.4321 0.3467 acceptable 4/ 51 0.2727 0.6379 4.4090 2.7017 5.2849 Vakser M04 0.4310 0.3415 acceptable 3/ 51 0.2857 0.6333 4.6268 2.6995 5.2909 S.Moal M10 0.4304 0.3387 acceptable 18/ 51 0.2857 0.6901 4.6037 2.7263 5.1711 Zou M09 0.4304 0.3385 medium 5/ 51 0.3247 0.6377 4.9607 2.8203 5.2800 S.Negi M19 0.4304 0.3385 medium 5/ 51 0.3247 0.6377 4.9607 2.8203 5.2800 S.Huang M02 0.4300 0.3369 acceptable 9/ 51 0.2987 0.6849 4.7019 2.7780 5.2143 Zou M03 0.4300 0.3369 acceptable 9/ 51 0.2987 0.6849 4.7020 2.7780 5.2143 S.Zou M09 0.4300 0.3369 acceptable 9/ 51 0.2987 0.6849 4.7020 2.7780 5.2143 S.Negi M09 0.4300 0.3369 acceptable 9/ 51 0.2987 0.6849 4.7020 2.7780 5.2143 S.Chang M05 0.4300 0.3369 acceptable 9/ 51 0.2987 0.6849 4.7020 2.7780 5.2143 Huang M07 0.4286 0.3302 acceptable 21/ 51 0.2857 0.5686 4.6506 2.7397 4.6631 HADDOCK M07 0.4283 0.3287 acceptable 2/ 51 0.3333 0.6212 5.0028 2.9180 5.0620 S.Negi M17 0.4283 0.3286 acceptable 3/ 51 0.2857 0.5217 3.6752 3.4792 4.8900 S.Negi M32 0.4275 0.3244 acceptable 4/ 51 0.2468 0.5778 3.1102 3.5205 4.9745 SWARMDOCK M10 0.4264 0.3194 acceptable 16/ 51 0.2987 0.6349 4.7312 2.8489 5.3873 SWARMDOCK M04 0.4230 0.3032 acceptable 6/ 51 0.2857 0.6140 4.7030 2.8429 5.4778 HADDOCK M10 0.4226 0.3014 acceptable 1/ 51 0.3200 0.6190 5.0003 2.9537 5.2645 HADDOCK M09 0.4218 0.2975 acceptable 6/ 51 0.3333 0.6094 5.1638 2.9831 5.2716 S.Negi M04 0.4218 0.2974 acceptable 3/ 51 0.2987 0.5741 4.0321 3.5646 5.0742 Grudinin M01 0.4218 0.2974 acceptable 3/ 51 0.2987 0.5741 4.0322 3.5646 5.0742 S.Bonvin M05 0.4193 0.2855 acceptable 4/ 51 0.3200 0.6522 5.1497 2.9404 5.2511 S.SWARMDOCK M06 0.4193 0.2854 acceptable 4/ 51 0.3200 0.6471 5.1508 2.9401 5.2518 Vakser M02 0.4190 0.2840 acceptable 8/ 51 0.2857 0.6667 4.9293 2.7996 5.2712 S.Oliva M02 0.4190 0.2839 acceptable 2/ 51 0.3200 0.6129 5.1242 2.9669 5.2859 S.Oliva M06 0.4177 0.2777 acceptable 8/ 51 0.3200 0.6308 5.1500 2.9843 5.2231 HADDOCK M08 0.4177 0.2777 acceptable 8/ 51 0.3200 0.6308 5.1500 2.9843 5.2231 S.Kihara M04 0.4158 0.2684 acceptable 11/ 51 0.3067 0.6462 5.0807 2.9644 5.3588 S.SWARMDOCK M02 0.4157 0.2680 acceptable 4/ 51 0.3200 0.6522 5.1814 3.0187 5.2587 S.SWARMDOCK M07 0.4135 0.2576 acceptable 3/ 51 0.3200 0.6364 5.2445 3.0354 5.3181 S.Oliva M05 0.4135 0.2576 acceptable 3/ 51 0.3200 0.6364 5.2445 3.0354 5.3181 HADDOCK M04 0.4125 0.2526 acceptable 4/ 51 0.2933 0.6716 5.1021 2.9179 5.1576 S.Kihara M07 0.4124 0.2522 acceptable 6/ 51 0.2933 0.6207 5.0432 2.9604 5.1885 S.Negi M23 0.4113 0.2469 acceptable 1/ 51 0.2208 0.5641 3.4766 3.4839 5.2185 Wallner M01 0.4112 0.2465 acceptable 9/ 51 0.2857 0.6140 5.1943 2.8258 5.3286 S.Chang M07 0.4099 0.2401 acceptable 7/ 51 0.2933 0.6944 5.1603 2.9483 5.3479 S.Kihara M06 0.4090 0.2357 acceptable 6/ 51 0.2800 0.7000 5.0786 2.9098 5.1795 S.Kihara M10 0.4085 0.2335 acceptable 8/ 51 0.2933 0.6562 5.1461 2.9960 5.2204 S.SWARMDOCK M04 0.4083 0.2323 acceptable 7/ 51 0.2933 0.7105 5.1166 3.0241 5.2455 HADDOCK M02 0.4083 0.2323 acceptable 7/ 51 0.2933 0.7105 5.1166 3.0241 5.2455 S.Venclovas M05 0.4079 0.2306 acceptable 28/ 51 0.2857 0.6271 5.1736 2.9242 4.6869 S.Kihara M08 0.4068 0.2255 acceptable 6/ 51 0.2800 0.6912 5.0760 2.9689 5.1935 HADDOCK M06 0.4061 0.2219 acceptable 5/ 51 0.2933 0.6615 5.1718 3.0462 5.2588 S.Negi M27 0.4040 0.2121 clashes,acceptable 73/ 51 0.3506 0.6351 6.5495 2.7136 4.6375 S.Oliva M10 0.4039 0.2113 acceptable 8/ 51 0.2667 0.6875 5.0316 2.9591 5.1463 S.Bonvin M06 0.4021 0.2026 acceptable 9/ 51 0.2667 0.6875 5.1123 2.9525 5.1537 S.Negi M29 0.4015 0.2000 acceptable 3/ 51 0.1948 0.6591 3.5106 3.4955 4.8911 Venclovas M04 0.4013 0.1988 acceptable 10/ 51 0.2078 0.7091 4.6651 2.7641 5.1849 S.Negi M01 0.4012 0.1985 acceptable 2/ 51 0.2597 0.5349 4.3284 3.5729 5.2742 HADDOCK M03 0.4007 0.1961 acceptable 6/ 51 0.2800 0.6818 5.2534 3.0139 5.2327 S.Negi M16 0.3998 0.1915 acceptable 2/ 51 0.1948 0.5455 3.5901 3.4910 5.2378 S.Oliva M07 0.3979 0.1825 acceptable 3/ 51 0.2667 0.6552 5.1883 3.0153 5.2689 HADDOCK M01 0.3975 0.1808 acceptable 9/ 51 0.2533 0.6984 5.1166 2.9517 5.1526 S.Oliva M03 0.3970 0.1782 acceptable 4/ 51 0.2533 0.6885 5.0854 2.9885 5.1867 S.Bonvin M07 0.3961 0.1739 acceptable 2/ 51 0.2667 0.6610 5.3297 2.9650 5.2580 Venclovas M05 0.3960 0.1735 clashes,acceptable 116/ 51 0.2338 0.7465 5.0791 2.8469 5.2093 S.SWARMDOCK M05 0.3951 0.1692 acceptable 4/ 51 0.2533 0.7164 5.2016 2.9585 5.3496 S.Oliva M09 0.3936 0.1620 acceptable 3/ 51 0.2667 0.6491 5.2684 3.0803 5.3943 S.Kihara M02 0.3924 0.1561 acceptable 5/ 51 0.2400 0.7188 5.0591 3.0121 5.2277 S.SWARMDOCK M03 0.3922 0.1551 acceptable 3/ 51 0.2533 0.7206 5.1840 3.0543 5.2286 S.Chang M09 0.3922 0.1551 acceptable 3/ 51 0.2533 0.7206 5.1840 3.0543 5.2286 HADDOCK M05 0.3922 0.1551 acceptable 3/ 51 0.2533 0.7206 5.1840 3.0543 5.2286 S.Kihara M09 0.3914 0.1516 acceptable 8/ 51 0.2267 0.7069 5.0018 2.9557 5.1525 S.Kihara M03 0.3884 0.1370 acceptable 6/ 51 0.2400 0.7391 5.1496 3.0609 5.1715 S.Oliva M04 0.3876 0.1334 acceptable 8/ 51 0.2400 0.6842 5.2467 3.0113 5.1640 S.Kihara M05 0.3850 0.1206 acceptable 3/ 51 0.2400 0.7143 5.3015 3.0480 5.3163 S.Weng M10 0.3836 0.1141 acceptable 2/ 51 0.1688 0.5938 3.8731 3.5158 5.0936 S.Negi M33 0.3836 0.1141 acceptable 2/ 51 0.1688 0.6061 3.8731 3.5158 5.2333 S.Oliva M01 0.3816 0.1043 acceptable 1/ 51 0.2267 0.6964 5.2381 3.0645 5.3959 Grudinin M05 0.3785 0.0897 acceptable 8/ 51 0.2208 0.5641 5.4317 2.9563 4.7755 Zacharias M04 0.3736 0.0662 acceptable 7/ 51 0.2597 0.5122 6.1215 2.9743 5.0113 S.Negi M03 0.3695 0.0464 acceptable 12/ 51 0.2208 0.6731 5.0141 3.6297 5.3168 S.Negi M13 0.3675 0.0366 acceptable 5/ 51 0.1948 0.5000 4.7154 3.6734 5.2548 Grudinin M07 0.3652 0.0258 acceptable 3/ 51 0.1948 0.5000 5.5603 2.9952 5.2440 Grudinin M09 0.3608 0.0047 acceptable 6/ 51 0.1039 0.7576 4.5808 2.9665 5.3208 S.Negi M24 0.3492 -0.0511 acceptable 6/ 51 0.1818 0.7083 5.2790 3.6554 5.1926 SWARMDOCK M06 0.3487 -0.0536 acceptable 2/ 51 0.2208 0.6304 5.9300 3.5345 6.0069 SWARMDOCK M08 0.3467 -0.0629 acceptable 3/ 51 0.2208 0.6047 6.0449 3.4983 5.9703 SWARMDOCK M01 0.3466 -0.0637 acceptable 5/ 51 0.1818 0.7358 5.4833 3.5467 6.1854 Guerois M03 0.3441 -0.0754 acceptable 8/ 51 0.2987 0.6034 7.8811 3.0387 4.7887 SWARMDOCK M07 0.3439 -0.0763 acceptable 4/ 51 0.2078 0.6098 5.9113 3.5710 6.0003 SWARMDOCK M05 0.3406 -0.0925 acceptable 2/ 51 0.2468 0.5870 6.5206 3.6366 6.1665 SWARMDOCK M09 0.3397 -0.0967 acceptable 2/ 51 0.1948 0.5833 5.8582 3.6232 6.1062 SWARMDOCK M02 0.3370 -0.1095 acceptable 5/ 51 0.1688 0.7636 5.6814 3.5560 6.2077 S.Negi M22 0.3362 -0.1134 acceptable 6/ 51 0.2078 0.6863 6.0576 3.7544 5.4756 Grudinin M06 0.3362 -0.1134 acceptable 6/ 51 0.2078 0.6863 6.0576 3.7544 5.4756 Fernandez-Recio M03 0.3189 -0.1965 acceptable 4/ 51 0.2857 0.5510 8.6699 3.1924 4.9971 SWARMDOCK M03 0.3136 -0.2220 acceptable 5/ 51 0.1818 0.6500 6.7972 3.5852 6.1070 S.Gray M08 0.3028 -0.2739 acceptable 7/ 51 0.2267 0.7119 8.0795 3.4862 5.5179 Zacharias M09 0.3018 -0.2785 acceptable 4/ 51 0.1299 0.3750 7.1086 3.1271 4.6994 S.Moal M08 0.2700 -0.4311 acceptable 3/ 51 0.1169 0.7632 7.3661 4.0240 5.7028 Schneidman M03 0.2590 -0.4837 clashes,acceptable 85/ 51 0.2078 0.8000 9.6315 3.8554 4.6748 Guerois M09 0.2408 -0.5711 acceptable 5/ 51 0.1039 0.7576 9.1079 3.5288 5.2013 Grudinin M03 0.1880 -0.8246 incorrect 4/ 51 0.0779 0.8462 10.1955 5.2294 6.3766 GRAMM-X M09 0.1779 -0.8729 incorrect 20/ 51 0.1169 0.8448 12.0762 4.9025 5.6170 Huang M06 0.1522 -0.9964 incorrect 12/ 51 0.0649 0.8810 12.4780 5.2784 7.1933 Zacharias M05 0.1037 -1.2291 incorrect 2/ 51 0.0390 0.8889 15.8092 6.6927 8.1340 Fernandez-Recio M09 0.0974 -1.2594 incorrect 4/ 51 0.0390 0.9062 16.0370 8.0177 9.2763 Fernandez-Recio M08 0.0962 -1.2651 incorrect 2/ 51 0.0130 0.9667 14.9957 8.1905 9.4131 Fernandez-Recio M05 0.0802 -1.3421 incorrect 7/ 51 0.0260 0.9333 17.5314 9.5357 10.6470 S.Moal M05 0.0778 -1.3534 incorrect 8/ 51 0.0133 0.9841 16.5687 13.7755 14.7116 S.Moal M09 0.0762 -1.3609 incorrect 17/ 51 0.0133 0.9882 16.8024 13.8299 14.8319 S.Moal M07 0.0723 -1.3797 incorrect 17/ 51 0.0000 1.0000 16.7249 13.7880 14.7943 S.Moal M06 0.0712 -1.3849 incorrect 6/ 51 0.0000 1.0000 16.8893 13.8654 14.7331 Schneidman M05 0.0709 -1.3863 clashes,incorrect 100/ 51 0.0649 0.9444 22.8355 9.1403 10.0167 S.Fernandez-Recio M02 0.0689 -1.3961 incorrect 2/ 51 0.0779 0.9155 24.0172 11.2362 12.2817 S.Weng M02 0.0677 -1.4021 incorrect 5/ 51 0.0779 0.9178 24.5173 11.1538 12.0559 GRAMM-X M06 0.0606 -1.4357 incorrect 17/ 51 0.0519 0.9333 24.6753 9.5734 10.7553 Grudinin M02 0.0600 -1.4389 incorrect 4/ 51 0.0390 0.9268 22.9787 10.3436 11.5313 S.Weng M03 0.0597 -1.4401 incorrect 1/ 51 0.0519 0.9375 24.2368 11.1466 12.0135 S.Gray M09 0.0596 -1.4406 incorrect 9/ 51 0.0533 0.9529 24.3661 11.3685 12.3247 Zacharias M06 0.0579 -1.4490 incorrect 1/ 51 0.0000 1.0000 18.9618 18.8454 19.1563 Grudinin M08 0.0577 -1.4500 incorrect 3/ 51 0.0130 0.9688 21.5695 9.2594 10.2827 Moal M07 0.0570 -1.4533 incorrect 8/ 51 0.0000 1.0000 19.2404 17.0714 17.5391 Weng M09 0.0544 -1.4658 incorrect 30/ 51 0.0000 1.0000 19.8017 17.2016 17.5887 GRAMM-X M02 0.0541 -1.4669 incorrect 18/ 51 0.0390 0.9595 29.4001 6.8102 7.9461 Ritchie M07 0.0535 -1.4701 incorrect 2/ 51 0.0000 1.0000 21.5482 9.2177 10.0285 Grudinin M04 0.0533 -1.4711 incorrect 0/ 51 0.0260 0.9310 23.6455 10.6675 11.8963 Schneidman M06 0.0514 -1.4800 clashes,incorrect 55/ 51 0.0260 0.9643 25.2860 9.0571 10.2329 S.SWARMDOCK M09 0.0513 -1.4805 incorrect 9/ 51 0.0260 0.9744 23.9075 11.8748 13.1160 S.Huang M07 0.0513 -1.4805 incorrect 9/ 51 0.0260 0.9744 23.9075 11.8748 13.1160 S.Grudinin M10 0.0512 -1.4810 incorrect 5/ 51 0.0260 0.9737 23.9399 11.9026 13.1301 S.Chang M03 0.0511 -1.4813 incorrect 7/ 51 0.0260 0.9733 23.9573 11.9124 13.1414 S.Huang M05 0.0511 -1.4813 incorrect 7/ 51 0.0260 0.9733 23.9574 11.9124 13.1414 S.Moal M04 0.0511 -1.4815 incorrect 14/ 51 0.0260 0.9744 24.0293 11.7272 12.8581 S.Moal M03 0.0508 -1.4829 incorrect 14/ 51 0.0260 0.9756 24.0878 11.8716 13.0391 CLUSPRO M02 0.0504 -1.4849 incorrect 5/ 51 0.0130 0.9744 22.9022 11.3705 12.6445 Eisenstein M03 0.0503 -1.4852 incorrect 13/ 51 0.0130 0.9737 23.9416 9.1682 10.8436 S.Fernandez-Recio M05 0.0501 -1.4862 incorrect 7/ 51 0.0260 0.9730 24.2932 12.0430 13.2774 S.SWARMDOCK M08 0.0469 -1.5019 incorrect 5/ 51 0.0130 0.9865 23.9442 11.8959 13.1664 Moal M08 0.0461 -1.5053 incorrect 13/ 51 0.0000 1.0000 21.9700 16.4641 17.7191 Grudinin M10 0.0455 -1.5082 incorrect 1/ 51 0.0000 1.0000 23.9285 9.4543 10.9217 Eisenstein M07 0.0452 -1.5100 clashes,incorrect 53/ 51 0.0000 1.0000 24.1007 9.3908 10.3538 Schneidman M07 0.0425 -1.5227 incorrect 26/ 51 0.0130 0.9792 26.6396 9.9741 11.1921 Zacharias M08 0.0423 -1.5239 incorrect 3/ 51 0.0000 1.0000 24.1703 11.5016 13.1007 Huang M10 0.0420 -1.5251 incorrect 12/ 51 0.0000 1.0000 24.7031 10.4559 12.0803 Huang M09 0.0418 -1.5262 incorrect 14/ 51 0.0000 1.0000 24.4178 11.3046 12.7829 GRAMM-X M07 0.0407 -1.5312 incorrect 20/ 51 0.0000 1.0000 23.9202 14.8443 15.6174 Eisenstein M09 0.0406 -1.5321 clashes,incorrect 54/ 51 0.0130 0.9737 26.3362 12.4296 14.0489 Gray M09 0.0395 -1.5369 incorrect 3/ 51 0.0130 0.9600 25.9711 15.8365 16.7906 CLUSPRO M04 0.0393 -1.5380 incorrect 7/ 51 0.0000 1.0000 24.3401 15.5119 16.2139 Eisenstein M05 0.0392 -1.5386 incorrect 8/ 51 0.0000 1.0000 25.7291 10.7141 12.3588 Eisenstein M06 0.0392 -1.5388 clashes,incorrect 67/ 51 0.0000 1.0000 24.4545 15.1762 16.2844 S.Fernandez-Recio M03 0.0383 -1.5427 incorrect 2/ 51 0.0000 1.0000 24.3635 18.5029 19.5238 Huang M03 0.0379 -1.5448 incorrect 11/ 51 0.0000 1.0000 24.6912 16.9418 17.8206 CLUSPRO M03 0.0378 -1.5453 incorrect 12/ 51 0.0000 1.0000 24.7051 17.2125 17.3474 Weng M06 0.0376 -1.5463 incorrect 38/ 51 0.0000 1.0000 24.7912 17.1502 17.6486 GRAMM-X M05 0.0361 -1.5536 incorrect 17/ 51 0.0130 0.9833 29.4775 10.9342 12.3287 Weng M10 0.0356 -1.5558 incorrect 41/ 51 0.0260 0.9615 30.5085 15.8878 16.6576 Huang M08 0.0336 -1.5657 incorrect 14/ 51 0.0000 1.0000 27.8269 12.0145 13.6363 Moal M05 0.0329 -1.5687 incorrect 41/ 51 0.0000 1.0000 26.8179 17.2822 18.7160 Moal M10 0.0323 -1.5716 incorrect 4/ 51 0.0519 0.9524 42.3032 18.8838 19.9306 Eisenstein M08 0.0317 -1.5746 incorrect 16/ 51 0.0000 1.0000 27.5122 16.7551 17.4370 GRAMM-X M03 0.0311 -1.5774 incorrect 20/ 51 0.0130 0.9839 31.0068 14.5773 15.8875 S.Moal M02 0.0302 -1.5819 incorrect 10/ 51 0.0000 1.0000 28.0191 18.9342 20.4823 Gray M08 0.0301 -1.5823 incorrect 2/ 51 0.0000 1.0000 28.2006 17.8523 18.3592 Weng M04 0.0284 -1.5903 incorrect 32/ 51 0.0000 1.0000 29.1555 17.9402 18.1702 S.Fernandez-Recio M09 0.0271 -1.5967 incorrect 4/ 51 0.0000 1.0000 29.8255 19.0908 20.6444 Schneidman M09 0.0255 -1.6042 incorrect 19/ 51 0.0000 1.0000 33.1978 12.1271 13.2413 Weng M05 0.0239 -1.6121 incorrect 44/ 51 0.0000 1.0000 32.3886 17.5898 17.9994 GRAMM-X M10 0.0235 -1.6141 incorrect 16/ 51 0.0130 0.9767 38.9975 13.5832 15.0590 S.Fernandez-Recio M06 0.0231 -1.6157 incorrect 1/ 51 0.0000 1.0000 32.3455 21.6256 22.8160 Moal M06 0.0227 -1.6178 incorrect 18/ 51 0.0260 0.9683 44.1141 18.8233 20.6939 Fernandez-Recio M10 0.0216 -1.6231 incorrect 4/ 51 0.0000 1.0000 34.1643 18.5622 18.8497 Moal M02 0.0214 -1.6238 incorrect 17/ 51 0.0130 0.9853 39.1038 19.0097 20.5535 Weng M01 0.0214 -1.6242 incorrect 49/ 51 0.0000 1.0000 34.5876 17.6924 18.3355 Moal M01 0.0211 -1.6254 incorrect 6/ 51 0.0130 0.9818 40.0385 17.5990 18.9800 Ritchie M09 0.0207 -1.6274 incorrect 4/ 51 0.0000 1.0000 35.0113 18.6638 18.8466 Fernandez-Recio M07 0.0205 -1.6281 incorrect 3/ 51 0.0000 1.0000 35.0723 19.0616 19.2908 S.Fernandez-Recio M08 0.0205 -1.6285 incorrect 0/ 51 0.0000 1.0000 34.8516 20.6360 21.3518 Fernandez-Recio M06 0.0203 -1.6292 incorrect 4/ 51 0.0000 1.0000 35.2047 19.5132 19.5916 S.Fernandez-Recio M04 0.0202 -1.6299 incorrect 6/ 51 0.0000 1.0000 34.9946 21.5965 22.4048 CLUSPRO M10 0.0200 -1.6308 incorrect 6/ 51 0.0000 1.0000 36.2491 16.8577 17.6501 S.Fernandez-Recio M07 0.0193 -1.6341 incorrect 1/ 51 0.0000 1.0000 36.7050 17.8637 18.2746 Ritchie M06 0.0192 -1.6345 incorrect 9/ 51 0.0000 1.0000 36.6025 18.5835 18.7621 Weng M08 0.0189 -1.6361 clashes,incorrect 63/ 51 0.0130 0.9800 43.3952 18.2888 19.5195 S.Gray M10 0.0187 -1.6372 incorrect 6/ 51 0.0000 1.0000 37.8348 16.7957 17.9348 GRAMM-X M08 0.0186 -1.6373 incorrect 17/ 51 0.0000 1.0000 37.8814 16.7651 17.8723 Moal M09 0.0185 -1.6379 incorrect 8/ 51 0.0000 1.0000 37.5121 18.2582 19.1763 CLUSPRO M07 0.0184 -1.6383 incorrect 8/ 51 0.0000 1.0000 38.8930 15.1631 16.2872 Ritchie M01 0.0184 -1.6386 clashes,incorrect 76/ 51 0.0000 1.0000 39.2761 14.6515 15.4516 Gray M05 0.0181 -1.6397 incorrect 7/ 51 0.0000 1.0000 39.2127 15.3157 16.0802 Gray M10 0.0180 -1.6403 incorrect 2/ 51 0.0000 1.0000 37.7387 19.7479 20.2510 Gray M06 0.0179 -1.6408 incorrect 4/ 51 0.0000 1.0000 39.5136 15.3080 16.0918 S.Venclovas M09 0.0179 -1.6409 clashes,incorrect 60/ 51 0.0000 1.0000 38.7685 16.9389 18.1494 GRAMM-X M04 0.0178 -1.6413 incorrect 17/ 51 0.0000 1.0000 40.0841 14.6602 15.3216 CLUSPRO M08 0.0174 -1.6432 incorrect 9/ 51 0.0000 1.0000 40.4357 15.0143 16.1803 S.Bonvin M08 0.0173 -1.6437 incorrect 8/ 51 0.0000 1.0000 40.1716 15.7275 16.5802 Ritchie M03 0.0167 -1.6465 incorrect 5/ 51 0.0000 1.0000 39.5492 19.3447 19.5295 Eisenstein M04 0.0153 -1.6532 incorrect 31/ 51 0.0000 1.0000 42.0136 18.3959 19.0247 Fernandez-Recio M04 0.0149 -1.6551 incorrect 2/ 51 0.0000 1.0000 42.3658 19.1479 19.2400 Ritchie M04 0.0143 -1.6583 incorrect 9/ 51 0.0000 1.0000 45.2871 15.9889 16.5422 CLUSPRO M06 0.0138 -1.6605 incorrect 10/ 51 0.0000 1.0000 44.7853 18.3472 19.1312 S.Bonvin M09 0.0136 -1.6613 incorrect 6/ 51 0.0000 1.0000 45.0406 18.5230 19.0509 CLUSPRO M05 0.0136 -1.6617 incorrect 8/ 51 0.0000 1.0000 44.9748 19.0258 19.4786 Moal M03 0.0135 -1.6619 incorrect 3/ 51 0.0000 1.0000 45.8077 17.6090 18.9365 Ritchie M05 0.0133 -1.6631 incorrect 4/ 51 0.0000 1.0000 46.5402 17.2542 17.8534 Weng M07 0.0131 -1.6638 clashes,incorrect 57/ 51 0.0000 1.0000 46.1268 18.5879 19.5930 Zacharias M07 0.0130 -1.6642 incorrect 7/ 51 0.0000 1.0000 47.0276 17.3256 18.0902 Moal M04 0.0129 -1.6646 incorrect 21/ 51 0.0000 1.0000 45.5493 20.7535 21.8242 CLUSPRO M09 0.0119 -1.6695 incorrect 4/ 51 0.0000 1.0000 48.7139 18.9253 19.6608 Weng M03 0.0119 -1.6695 clashes,incorrect 68/ 51 0.0000 1.0000 50.4930 16.4679 17.0501 S.Bonvin M10 0.0111 -1.6733 incorrect 13/ 51 0.0000 1.0000 51.8553 17.5588 19.0678 Ritchie M08 0.0110 -1.6738 incorrect 5/ 51 0.0000 1.0000 50.5890 19.9505 20.9888 Ritchie M02 0.0107 -1.6755 incorrect 6/ 51 0.0000 1.0000 52.0258 19.2601 20.8607 Ritchie M10 0.0105 -1.6762 incorrect 8/ 51 0.0000 1.0000 51.9140 20.2373 21.8165 Weng M02 0.0104 -1.6766 clashes,incorrect 62/ 51 0.0000 1.0000 52.7256 19.2965 20.2651 Zacharias M10 0.0098 -1.6797 incorrect 6/ 51 0.0000 1.0000 50.3181 37.2191 38.0985

Target: T111.1

Group Model DockQ Zscore Classification nclash fnat fnonnat lrmsd irmsdbb irmsdsc S.Seok M06 0.9223 0.9708 high 5/ 31 0.9273 0.0727 0.9489 0.6255 1.2826 Zou M04 0.9044 0.9182 high 6/ 31 0.9091 0.0566 0.8842 0.7148 1.5218 S.SWARMDOCK M07 0.9044 0.9182 high 6/ 31 0.9091 0.0566 0.8842 0.7148 1.5218 Schneidman M09 0.8953 0.8912 high 6/ 31 0.8364 0.0213 0.6956 0.6149 1.3995 Vakser M07 0.8929 0.8840 high 7/ 31 0.8727 0.0400 0.8237 0.7141 1.4622 S.Weng M10 0.8923 0.8824 high 1/ 31 0.8727 0.0400 0.8842 0.7148 1.5003 Schneidman M02 0.8826 0.8538 high 5/ 31 0.8000 0.0222 0.7488 0.6163 1.3631 S.Bonvin M04 0.8824 0.8531 high 9/ 31 0.8727 0.0943 0.9277 0.7821 1.3859 S.SWARMDOCK M06 0.8823 0.8529 high 6/ 31 0.8727 0.0588 1.1053 0.7714 1.5045 S.Bonvin M05 0.8818 0.8513 high 6/ 31 0.8727 0.0588 1.1075 0.7749 1.5069 S.Seok M02 0.8803 0.8469 high 4/ 31 0.8364 0.1481 0.9507 0.7104 1.6784 Schneidman M06 0.8785 0.8416 high 4/ 31 0.7818 0.0652 0.7570 0.6014 1.4264 GRAMM-X M01 0.8770 0.8371 high 6/ 31 0.8364 0.0612 1.0028 0.7306 1.3748 Guerois M02 0.8763 0.8350 high 6/ 31 0.8545 0.0600 1.2188 0.7630 1.4532 S.SWARMDOCK M04 0.8755 0.8327 high 6/ 31 0.8545 0.0784 0.9655 0.7857 1.4813 Negi M06 0.8755 0.8327 high 7/ 31 0.8727 0.1273 1.0590 0.8222 1.7558 Negi M07 0.8746 0.8301 high 7/ 31 0.8727 0.1273 1.0683 0.8277 1.7698 Negi M08 0.8737 0.8273 high 7/ 31 0.8727 0.1273 1.0875 0.8328 1.7753 Negi M02 0.8731 0.8258 high 7/ 31 0.8545 0.0962 1.0776 0.7949 1.7095 Negi M09 0.8720 0.8224 high 7/ 31 0.8727 0.1273 1.1147 0.8426 1.7825 Zacharias M02 0.8719 0.8222 high 9/ 31 0.9455 0.1875 1.5417 0.9771 1.8974 S.Grudinin M06 0.8718 0.8218 high 8/ 31 0.8364 0.0612 0.8997 0.7733 1.5686 S.Vakser M03 0.8717 0.8215 high 6/ 31 0.8545 0.0408 1.1104 0.8028 1.5705 Schneidman M04 0.8714 0.8208 high 6/ 31 0.7636 0.0233 0.6970 0.6117 1.4446 S.SWARMDOCK M03 0.8709 0.8192 high 7/ 31 0.8364 0.0612 0.9710 0.7753 1.4589 S.Chang M09 0.8709 0.8192 high 7/ 31 0.8364 0.0612 0.9710 0.7753 1.4589 HADDOCK M08 0.8709 0.8192 high 7/ 31 0.8364 0.0612 0.9710 0.7753 1.4589 Schneidman M05 0.8709 0.8192 high 3/ 31 0.7636 0.0455 0.7131 0.6151 1.4125 Huang M02 0.8709 0.8191 high 22/ 31 0.8000 0.1538 0.9126 0.6933 1.7057 Schneidman M03 0.8708 0.8190 high 2/ 31 0.7636 0.0455 0.7470 0.6138 1.4819 S.SWARMDOCK M05 0.8705 0.8179 high 6/ 31 0.8182 0.0625 0.9062 0.7396 1.5632 Negi M05 0.8703 0.8174 high 6/ 31 0.8545 0.1296 1.0504 0.8166 1.7450 S.Venclovas M09 0.8702 0.8171 high 2/ 31 0.8000 0.0222 1.0966 0.6862 1.3247 S.Huang M05 0.8702 0.8171 high 7/ 31 0.8727 0.1273 1.1423 0.8531 1.7892 Negi M10 0.8702 0.8171 high 7/ 31 0.8727 0.1273 1.1423 0.8531 1.7892 S.Zou M07 0.8688 0.8131 high 4/ 31 0.8182 0.1509 0.9723 0.7472 1.6639 Seok M10 0.8688 0.8131 high 4/ 31 0.8182 0.1509 0.9723 0.7472 1.6639 HADDOCK M05 0.8683 0.8115 high 7/ 31 0.8364 0.0417 1.0751 0.7869 1.5966 Negi M03 0.8679 0.8104 high 7/ 31 0.8364 0.0980 1.0402 0.7918 1.7218 S.SWARMDOCK M09 0.8677 0.8096 high 7/ 31 0.8182 0.0426 1.0207 0.7524 1.4783 HADDOCK M07 0.8670 0.8077 high 8/ 31 0.8182 0.0426 1.0238 0.7568 1.5048 Negi M04 0.8663 0.8057 high 6/ 31 0.8364 0.0980 1.0348 0.8033 1.7355 Schneidman M08 0.8657 0.8038 high 2/ 31 0.7455 0.0238 0.6841 0.6104 1.3554 Schneidman M10 0.8654 0.8029 high 4/ 31 0.7455 0.0238 0.7770 0.6079 1.4157 Schneidman M01 0.8647 0.8008 high 7/ 31 0.7455 0.0238 0.7488 0.6148 1.4102 S.Zou M09 0.8643 0.7999 high 5/ 31 0.8000 0.1200 1.0508 0.7310 1.6015 Seok M07 0.8643 0.7999 high 5/ 31 0.8000 0.1200 1.0508 0.7310 1.6015 S.SWARMDOCK M01 0.8643 0.7998 high 5/ 31 0.8182 0.0625 1.0042 0.7768 1.4994 Wallner M01 0.8635 0.7974 high 8/ 31 0.8000 0.0435 0.9495 0.7434 1.7679 Zacharias M09 0.8625 0.7944 high 5/ 31 0.8545 0.0784 0.8950 0.8800 1.7764 Negi M01 0.8615 0.7915 high 7/ 31 0.8182 0.1000 1.0784 0.7915 1.6763 Guerois M01 0.8605 0.7884 high 7/ 31 0.8000 0.0638 1.0218 0.7603 1.3682 S.Chang M10 0.8602 0.7877 high 7/ 31 0.8182 0.0426 1.1452 0.7960 1.5097 Huang M01 0.8598 0.7864 high 23/ 31 0.7818 0.1400 1.0853 0.7180 1.7072 S.Vakser M05 0.8594 0.7854 high 6/ 31 0.8000 0.0222 1.0290 0.7670 1.5859 S.Seok M08 0.8591 0.7845 high 10/ 31 0.7818 0.0652 1.1091 0.7210 1.4846 S.Grudinin M05 0.8590 0.7840 high 7/ 31 0.8182 0.0816 1.0638 0.8102 1.6697 Zou M02 0.8587 0.7831 high 7/ 31 0.8182 0.0426 1.1074 0.8095 1.6375 S.Zou M08 0.8581 0.7816 high 7/ 31 0.8000 0.1200 0.8958 0.7841 1.9984 Seok M09 0.8581 0.7816 high 7/ 31 0.8000 0.1200 0.8958 0.7841 1.9984 LZERD M10 0.8580 0.7813 high 7/ 31 0.8182 0.1176 1.2528 0.8031 1.6728 S.Vakser M07 0.8580 0.7811 high 6/ 31 0.8182 0.1000 1.0225 0.8199 1.7302 S.Vakser M08 0.8570 0.7783 high 6/ 31 0.8364 0.0417 1.2495 0.8526 1.6506 S.Zou M03 0.8568 0.7775 high 3/ 31 0.8545 0.1296 1.1880 0.9008 1.6384 Seok M02 0.8568 0.7775 high 3/ 31 0.8545 0.1296 1.1880 0.9008 1.6384 S.Zou M06 0.8565 0.7767 high 9/ 31 0.8182 0.1346 1.0373 0.8291 1.7317 Seok M08 0.8565 0.7767 high 9/ 31 0.8182 0.1346 1.0373 0.8291 1.7317 HADDOCK M03 0.8565 0.7766 high 8/ 31 0.8000 0.0435 0.9982 0.7897 1.4563 HADDOCK M04 0.8562 0.7759 high 6/ 31 0.8000 0.0435 1.0524 0.7878 1.5178 Zou M01 0.8558 0.7747 high 9/ 31 0.8182 0.1000 0.9381 0.8401 1.7050 S.Zou M01 0.8556 0.7741 high 5/ 31 0.8364 0.1930 1.1030 0.8731 1.6789 Seok M03 0.8556 0.7741 high 5/ 31 0.8364 0.1930 1.1030 0.8731 1.6789 S.Bonvin M03 0.8552 0.7730 high 12/ 31 0.8182 0.1346 1.0340 0.8381 1.7252 Zou M08 0.8551 0.7726 high 7/ 31 0.8000 0.0222 1.0341 0.7968 1.6434 Zou M03 0.8551 0.7726 high 7/ 31 0.8000 0.0222 1.0344 0.7968 1.6433 S.Zou M10 0.8551 0.7726 high 6/ 31 0.7818 0.1400 0.9625 0.7590 1.6278 Seok M01 0.8551 0.7726 high 6/ 31 0.7818 0.1400 0.9625 0.7590 1.6278 S.Zou M04 0.8547 0.7715 high 6/ 31 0.8000 0.1538 1.0119 0.8009 1.6031 Seok M04 0.8547 0.7715 high 6/ 31 0.8000 0.1538 1.0119 0.8009 1.6031 S.SWARMDOCK M02 0.8546 0.7711 high 5/ 31 0.8000 0.1200 1.0695 0.7981 1.5561 HADDOCK M10 0.8546 0.7711 high 5/ 31 0.8000 0.1200 1.0695 0.7981 1.5561 S.Vakser M06 0.8538 0.7689 high 5/ 31 0.8000 0.0222 1.0465 0.8048 1.6255 HADDOCK M01 0.8538 0.7689 high 5/ 31 0.8000 0.0222 1.0465 0.8048 1.6255 S.Bonvin M01 0.8536 0.7682 high 7/ 31 0.8364 0.1930 1.1111 0.8863 1.6696 Schneidman M07 0.8531 0.7667 high 3/ 31 0.7091 0.0250 0.7204 0.6120 1.4831 Zacharias M01 0.8522 0.7642 high 4/ 31 0.8000 0.0222 1.0865 0.8133 1.7430 S.Venclovas M04 0.8520 0.7633 high 1/ 31 0.7636 0.0667 1.0170 0.7350 1.6000 LZERD M09 0.8514 0.7618 high 7/ 31 0.8000 0.1200 1.2674 0.8058 1.6716 Kihara M09 0.8514 0.7618 high 7/ 31 0.8000 0.1200 1.2674 0.8058 1.6716 Zacharias M03 0.8513 0.7615 medium 8/ 31 0.9273 0.0893 1.7119 1.0631 2.0216 LZERD M07 0.8508 0.7599 high 8/ 31 0.8000 0.1200 1.2754 0.8097 1.6839 Kihara M07 0.8508 0.7599 high 8/ 31 0.8000 0.1200 1.2754 0.8097 1.6839 HADDOCK M06 0.8505 0.7591 high 5/ 31 0.7818 0.0851 1.0633 0.7847 1.5200 S.LZERD M02 0.8503 0.7583 high 6/ 31 0.7636 0.0455 0.9769 0.7495 1.3876 S.Kihara M02 0.8503 0.7583 high 6/ 31 0.7636 0.0455 0.9769 0.7495 1.3876 S.Grudinin M01 0.8502 0.7581 high 7/ 31 0.7818 0.0652 0.9961 0.7913 1.6308 Grudinin M01 0.8501 0.7578 high 3/ 31 0.7636 0.0233 1.0073 0.7488 1.2916 Guerois M06 0.8501 0.7577 high 5/ 31 0.7818 0.0444 1.2980 0.7707 1.5310 S.Gray M06 0.8500 0.7576 high 5/ 31 0.7636 0.0870 1.1571 0.7392 1.4808 Takeda-Shitaka M07 0.8495 0.7559 high 2/ 31 0.7636 0.0667 1.0903 0.7478 1.6455 S.Grudinin M08 0.8487 0.7537 high 5/ 31 0.7818 0.0652 1.2011 0.7878 1.6470 S.SWARMDOCK M10 0.8485 0.7532 high 7/ 31 0.7818 0.0444 1.1409 0.7933 1.4889 S.Vakser M09 0.8483 0.7526 high 7/ 31 0.8000 0.0638 1.1238 0.8380 1.6156 S.Vakser M10 0.8473 0.7495 high 5/ 31 0.7636 0.0233 0.9982 0.7691 1.5590 Gray M04 0.8473 0.7495 high 2/ 31 0.7455 0.0000 0.9758 0.7281 1.3941 S.Venclovas M02 0.8471 0.7491 high 1/ 31 0.7455 0.0682 0.9761 0.7291 1.5958 Kihara M08 0.8456 0.7445 high 7/ 31 0.7636 0.1429 0.9469 0.7842 1.6424 S.Vakser M04 0.8455 0.7442 high 4/ 31 0.7818 0.1224 1.0582 0.8200 1.7273 Guerois M04 0.8454 0.7439 high 4/ 31 0.8000 0.0435 1.2062 0.8525 1.5524 Zacharias M08 0.8454 0.7439 medium 2/ 31 0.9091 0.1525 1.6228 1.0714 2.0334 S.Bonvin M02 0.8454 0.7439 high 12/ 31 0.8000 0.0833 1.1043 0.8598 1.7579 HADDOCK M02 0.8452 0.7433 high 7/ 31 0.7818 0.0444 1.0986 0.8194 1.5396 HADDOCK M09 0.8447 0.7419 high 6/ 31 0.7818 0.0444 1.0605 0.8253 1.5180 Takeda-Shitaka M10 0.8443 0.7408 high 6/ 31 0.7636 0.0233 0.9649 0.7918 1.8140 Zou M09 0.8443 0.7406 high 6/ 31 0.7455 0.0465 1.0291 0.7460 1.4724 Zou M10 0.8441 0.7402 high 10/ 31 0.8000 0.0833 1.1193 0.8674 1.7679 Eisenstein M02 0.8439 0.7395 high 7/ 31 0.7636 0.0667 1.1914 0.7796 1.6248 S.Moal M01 0.8431 0.7372 high 17/ 31 0.8727 0.1864 2.0282 0.9576 1.8252 S.Huang M08 0.8429 0.7365 high 0/ 31 0.7818 0.0000 1.7107 0.7833 1.7467 Grudinin M04 0.8429 0.7365 high 0/ 31 0.7818 0.0000 1.7107 0.7833 1.7467 Takeda-Shitaka M09 0.8428 0.7362 high 4/ 31 0.7455 0.1277 1.0761 0.7534 1.9136 S.Venclovas M05 0.8426 0.7356 high 1/ 31 0.7455 0.0238 1.0172 0.7587 1.3317 Fernandez-Recio M01 0.8423 0.7350 high 4/ 31 0.7636 0.0233 1.1148 0.7959 1.7664 S.Zou M05 0.8422 0.7345 high 5/ 31 0.8000 0.0833 1.0315 0.8867 1.6049 Seok M05 0.8422 0.7345 high 5/ 31 0.8000 0.0833 1.0315 0.8867 1.6049 Zou M07 0.8417 0.7330 high 6/ 31 0.7818 0.1042 0.9930 0.8506 1.6509 S.LZERD M07 0.8412 0.7315 high 6/ 31 0.7455 0.0465 1.0652 0.7652 1.3977 S.Kihara M07 0.8412 0.7315 high 6/ 31 0.7455 0.0465 1.0652 0.7652 1.3977 S.Grudinin M07 0.8401 0.7283 high 6/ 31 0.7636 0.0455 0.9772 0.8205 1.5667 LZERD M08 0.8399 0.7279 high 6/ 31 0.7636 0.1064 1.2724 0.8009 1.7517 Venclovas M02 0.8390 0.7252 high 9/ 31 0.7818 0.1224 1.2487 0.8512 1.3664 LZERD M06 0.8390 0.7251 high 6/ 31 0.7636 0.1064 1.2671 0.8080 1.6406 Kihara M06 0.8390 0.7251 high 6/ 31 0.7636 0.1064 1.2671 0.8080 1.6406 S.Zou M02 0.8387 0.7244 high 3/ 31 0.8182 0.1667 1.3339 0.9306 2.0294 S.Vakser M01 0.8387 0.7244 high 3/ 31 0.8182 0.1667 1.3339 0.9306 2.0294 S.Huang M04 0.8387 0.7244 high 3/ 31 0.8182 0.1667 1.3339 0.9306 2.0294 Seok M06 0.8387 0.7244 high 3/ 31 0.8182 0.1667 1.3339 0.9306 2.0294 S.LZERD M05 0.8380 0.7221 high 6/ 31 0.7273 0.0698 1.0612 0.7453 1.3876 S.Kihara M05 0.8380 0.7221 high 6/ 31 0.7273 0.0698 1.0612 0.7453 1.3876 Zou M06 0.8372 0.7198 high 6/ 31 0.7636 0.1064 0.9529 0.8421 1.8300 S.Grudinin M10 0.8371 0.7195 high 3/ 31 0.7818 0.1569 1.1413 0.8725 1.6430 Zacharias M05 0.8361 0.7167 medium 9/ 31 0.8727 0.1724 1.9988 1.0098 1.9227 S.Bonvin M06 0.8349 0.7129 high 7/ 31 0.7636 0.0667 1.0848 0.8498 1.5843 Kihara M10 0.8342 0.7109 high 5/ 31 0.7273 0.1111 0.9624 0.7783 1.7627 Gray M02 0.8331 0.7078 high 2/ 31 0.7455 0.0238 1.1349 0.8166 1.4526 S.Grudinin M09 0.8328 0.7069 high 10/ 31 0.7273 0.1304 1.0560 0.7819 1.6393 S.LZERD M03 0.8314 0.7028 high 4/ 31 0.7091 0.0714 1.0281 0.7509 1.3619 S.Kihara M03 0.8314 0.7028 high 4/ 31 0.7091 0.0714 1.0281 0.7509 1.3619 Venclovas M08 0.8309 0.7011 high 5/ 31 0.7234 0.0556 1.0087 0.7895 1.7766 Grudinin M07 0.8303 0.6993 high 2/ 31 0.6727 0.0750 0.9494 0.6779 1.5909 S.Vakser M02 0.8300 0.6987 high 4/ 31 0.7455 0.0889 1.0434 0.8442 1.7634 Zacharias M06 0.8283 0.6935 medium 0/ 31 0.8545 0.1754 2.0058 1.0217 1.9307 Takeda-Shitaka M08 0.8280 0.6927 high 4/ 31 0.7273 0.0698 1.0822 0.8135 1.5831 Eisenstein M01 0.8270 0.6896 high 3/ 31 0.7273 0.0244 1.2050 0.8122 1.6746 S.LZERD M08 0.8266 0.6885 high 4/ 31 0.7273 0.0476 1.2904 0.8083 1.4581 S.Kihara M08 0.8266 0.6885 high 4/ 31 0.7273 0.0476 1.2904 0.8083 1.4581 S.SWARMDOCK M08 0.8260 0.6869 high 7/ 31 0.7455 0.0682 1.0833 0.8693 1.7077 Iwadate M01 0.8256 0.6856 high 4/ 31 0.7234 0.0286 1.1628 0.8157 1.7266 Zacharias M07 0.8247 0.6829 medium 3/ 31 0.8545 0.1455 1.5682 1.0946 1.9335 S.LZERD M10 0.8237 0.6800 high 6/ 31 0.7273 0.0698 1.1769 0.8369 1.4392 S.Kihara M10 0.8237 0.6800 high 6/ 31 0.7273 0.0698 1.1769 0.8369 1.4392 Gray M05 0.8237 0.6799 high 2/ 31 0.7273 0.0244 1.2122 0.8346 1.4619 Gray M01 0.8236 0.6798 high 2/ 31 0.7273 0.0476 1.2473 0.8322 1.4650 Guerois M03 0.8235 0.6795 high 2/ 31 0.7455 0.0238 1.0476 0.8889 1.7426 Zacharias M10 0.8234 0.6792 medium 4/ 31 0.8182 0.1346 1.1227 1.0544 2.0071 Takeda-Shitaka M06 0.8232 0.6786 high 3/ 31 0.7091 0.0714 1.0997 0.8035 1.7583 Guerois M10 0.8224 0.6760 high 8/ 31 0.7455 0.1087 1.3080 0.8783 1.7970 S.LZERD M04 0.8213 0.6728 high 5/ 31 0.7091 0.0488 1.2064 0.8096 1.4480 S.Kihara M04 0.8213 0.6728 high 5/ 31 0.7091 0.0488 1.2064 0.8096 1.4480 Gray M06 0.8213 0.6728 high 2/ 31 0.7273 0.0244 1.2383 0.8493 1.4763 S.Grudinin M04 0.8196 0.6678 high 2/ 31 0.7636 0.1600 1.2766 0.9419 2.0534 Takeda-Shitaka M02 0.8185 0.6647 high 5/ 31 0.6909 0.0500 1.0491 0.7975 1.7299 Venclovas M07 0.8182 0.6638 high 7/ 31 0.7234 0.0286 1.2853 0.8577 1.8465 LZERD M05 0.8173 0.6611 high 4/ 31 0.6909 0.2083 0.9827 0.8102 1.8977 Kihara M05 0.8173 0.6611 high 4/ 31 0.6909 0.2083 0.9827 0.8102 1.8977 Zacharias M04 0.8146 0.6533 medium 8/ 31 0.8727 0.1429 2.3481 1.1198 2.0271 Takeda-Shitaka M04 0.8145 0.6529 high 5/ 31 0.6727 0.0263 0.9596 0.7887 1.6978 Zou M05 0.8131 0.6488 high 11/ 31 0.7273 0.1489 1.1898 0.9093 1.5490 SWARMDOCK M10 0.8130 0.6485 clashes,high 74/ 31 0.6727 0.1778 0.9634 0.7987 2.0171 Venclovas M06 0.8121 0.6457 high 9/ 31 0.7091 0.1333 1.2738 0.8682 1.6813 Takeda-Shitaka M03 0.8102 0.6402 high 4/ 31 0.6545 0.1220 0.9644 0.7760 1.7205 Venclovas M03 0.8099 0.6393 high 27/ 31 0.6909 0.1915 1.3260 0.8369 2.0710 Weng M09 0.8093 0.6376 medium 29/ 31 0.8364 0.2069 2.3724 1.0673 1.8608 Kihara M02 0.8075 0.6322 high 11/ 31 0.7091 0.0250 1.0799 0.9138 1.8238 Venclovas M01 0.8071 0.6310 high 7/ 31 0.6727 0.0750 1.2477 0.8205 1.3998 Weng M06 0.8066 0.6296 high 3/ 31 0.6909 0.0952 1.2057 0.8690 1.8255 Guerois M09 0.8058 0.6272 high 2/ 31 0.6727 0.0263 1.2965 0.8258 1.8116 Takeda-Shitaka M05 0.8056 0.6265 high 9/ 31 0.6909 0.1163 1.2906 0.8698 1.8186 S.Grudinin M02 0.8042 0.6224 high 7/ 31 0.6909 0.1364 1.2254 0.8846 2.0688 Gray M03 0.8037 0.6211 high 2/ 31 0.6727 0.0263 1.2036 0.8472 1.4912 Takeda-Shitaka M01 0.8035 0.6203 high 5/ 31 0.6545 0.0526 1.1473 0.8110 1.7290 Weng M04 0.8033 0.6197 clashes,medium 69/ 31 0.8182 0.3478 2.3724 1.0673 1.8810 S.Grudinin M03 0.8032 0.6195 high 2/ 31 0.7091 0.1522 1.4545 0.9147 1.7565 Huang M10 0.8029 0.6186 high 17/ 31 0.6727 0.0750 1.3419 0.8422 1.8176 LZERD M02 0.8019 0.6156 high 4/ 31 0.6364 0.2222 0.9640 0.7923 1.9141 SWARMDOCK M02 0.8010 0.6131 high 5/ 31 0.6909 0.1364 1.1164 0.9143 2.1823 Weng M01 0.8006 0.6117 high 19/ 31 0.6727 0.1395 1.2057 0.8690 1.8599 S.Venclovas M06 0.8003 0.6110 high 1/ 31 0.6727 0.0750 1.3206 0.8618 1.3973 LZERD M04 0.8001 0.6104 high 5/ 31 0.6364 0.2391 0.9759 0.8037 1.8116 Venclovas M04 0.7998 0.6096 high 8/ 31 0.6909 0.1364 1.2935 0.9094 1.6531 Shen M02 0.7993 0.6080 high 4/ 31 0.7091 0.1333 1.5956 0.9289 2.3599 Weng M03 0.7965 0.5998 clashes,medium 101/ 31 0.8909 0.3553 3.1851 1.1700 1.9377 Vakser M01 0.7945 0.5940 high 6/ 31 0.6727 0.1395 1.0474 0.9218 2.1683 Venclovas M05 0.7931 0.5897 high 12/ 31 0.6727 0.1190 1.3240 0.9116 2.2398 LZERD M03 0.7930 0.5893 high 3/ 31 0.6182 0.1905 0.9824 0.8109 1.7968 Kihara M03 0.7930 0.5893 high 3/ 31 0.6182 0.1905 0.9824 0.8109 1.7968 Guerois M05 0.7924 0.5875 high 6/ 31 0.6727 0.1190 1.3853 0.9117 1.7028 LZERD M01 0.7909 0.5834 high 3/ 31 0.6182 0.1905 0.9665 0.8258 1.7880 Kihara M01 0.7909 0.5834 high 3/ 31 0.6182 0.1905 0.9665 0.8258 1.7880 S.Huang M10 0.7904 0.5817 high 5/ 31 0.6364 0.0541 1.1589 0.8591 1.7317 Guerois M07 0.7886 0.5765 medium 2/ 31 0.7091 0.0488 1.3736 1.0239 1.8722 Vakser M02 0.7883 0.5755 high 6/ 31 0.6545 0.1220 1.0794 0.9211 2.1886 S.Huang M09 0.7879 0.5744 high 6/ 31 0.6909 0.1915 1.8837 0.9362 1.7562 Grudinin M06 0.7879 0.5744 high 6/ 31 0.6909 0.1915 1.8837 0.9362 1.7562 Eisenstein M03 0.7874 0.5728 high 2/ 31 0.6364 0.0278 1.2888 0.8702 1.7035 Huang M09 0.7859 0.5685 high 15/ 31 0.6545 0.0769 1.4856 0.9056 1.8525 Grudinin M09 0.7803 0.5521 medium 8/ 31 0.6727 0.0513 1.2408 1.0074 1.6741 Weng M08 0.7783 0.5462 clashes,medium 48/ 31 0.8364 0.2812 3.1851 1.1700 1.9741 Ritchie M05 0.7783 0.5462 medium 8/ 31 0.7234 0.2444 1.8207 1.0875 2.1722 S.Oliva M01 0.7778 0.5447 high 3/ 31 0.6000 0.0294 1.2899 0.8521 1.8999 Guerois M08 0.7772 0.5427 medium 4/ 31 0.6909 0.0952 1.4920 1.0515 1.9896 S.Oliva M08 0.7757 0.5383 high 2/ 31 0.6545 0.0270 1.7016 0.9562 1.6569 Gray M08 0.7757 0.5383 high 2/ 31 0.6545 0.0270 1.7016 0.9562 1.6569 Eisenstein M05 0.7750 0.5363 high 5/ 31 0.6727 0.0263 1.9405 0.9777 1.7789 Shen M04 0.7724 0.5288 medium 8/ 31 0.7273 0.0476 1.7256 1.1506 2.2334 Vakser M09 0.7701 0.5219 high 8/ 31 0.6182 0.1707 1.0748 0.9636 2.1674 Vakser M04 0.7683 0.5165 medium 9/ 31 0.6364 0.1250 1.3136 1.0013 2.2278 S.Seok M09 0.7665 0.5113 medium 3/ 31 0.7091 0.0930 2.1350 1.1013 1.6612 Huang M03 0.7654 0.5080 medium 15/ 31 0.6364 0.2045 1.5428 1.0014 1.8627 S.Oliva M04 0.7642 0.5046 medium 0/ 31 0.6545 0.0270 1.8161 1.0246 1.5882 S.Venclovas M08 0.7598 0.4915 medium 1/ 31 0.6364 0.0278 1.9271 1.0009 1.5727 Gray M07 0.7598 0.4915 medium 1/ 31 0.6364 0.0278 1.9271 1.0009 1.5727 Shen M08 0.7594 0.4904 medium 2/ 31 0.7273 0.1489 2.2366 1.1851 2.4601 S.LZERD M06 0.7591 0.4896 medium 3/ 31 0.6909 0.1163 2.2947 1.0899 1.5968 S.Kihara M06 0.7591 0.4896 medium 3/ 31 0.6909 0.1163 2.2947 1.0899 1.5968 S.Oliva M07 0.7573 0.4843 high 0/ 31 0.5636 0.0000 1.3956 0.9014 1.8961 S.Oliva M05 0.7542 0.4750 medium 2/ 31 0.6545 0.0270 2.1107 1.0618 1.5990 Kihara M04 0.7539 0.4742 high 9/ 31 0.5455 0.2500 1.0708 0.9079 2.4471 S.Oliva M06 0.7519 0.4682 medium 1/ 31 0.6545 0.0270 2.1484 1.0735 1.6186 Vakser M10 0.7507 0.4647 medium 2/ 31 0.5818 0.1111 1.0955 1.0133 1.8363 Huang M04 0.7441 0.4451 medium 13/ 31 0.6000 0.1750 1.6774 1.0534 1.9008 Grudinin M05 0.7433 0.4427 high 1/ 31 0.5636 0.0882 1.5400 0.9867 1.7520 S.Fernandez-Recio M07 0.7359 0.4211 medium 2/ 31 0.6182 0.0811 2.2843 1.0839 1.5995 S.Venclovas M01 0.7341 0.4156 medium 6/ 31 0.6182 0.1053 2.3216 1.0925 1.6508 S.Huang M06 0.7319 0.4093 medium 6/ 31 0.7091 0.1702 1.5174 1.4481 2.5002 Grudinin M02 0.7319 0.4093 medium 6/ 31 0.7091 0.1702 1.5174 1.4481 2.5003 Vakser M08 0.7316 0.4085 medium 25/ 31 0.6000 0.2500 1.2153 1.1869 2.3499 S.Gray M03 0.7309 0.4063 medium 6/ 31 0.7091 0.2200 1.8771 1.4120 2.2626 Shen M01 0.7258 0.3911 medium 0/ 31 0.6364 0.0278 1.9137 1.2526 2.3204 S.LZERD M09 0.7250 0.3890 medium 5/ 31 0.6000 0.0833 2.3809 1.1059 1.6457 S.Kihara M09 0.7250 0.3890 medium 5/ 31 0.6000 0.0833 2.3809 1.1059 1.6457 S.Gray M02 0.7238 0.3853 medium 7/ 31 0.7091 0.1875 2.0465 1.4496 2.2812 S.Gray M05 0.7233 0.3839 medium 6/ 31 0.7091 0.1702 2.0432 1.4541 2.5435 S.LZERD M01 0.7230 0.3830 medium 5/ 31 0.6364 0.1250 2.6840 1.1661 1.6764 S.Kihara M01 0.7230 0.3830 medium 5/ 31 0.6364 0.1250 2.6840 1.1661 1.6764 S.Gray M04 0.7228 0.3824 medium 6/ 31 0.6909 0.1915 2.0204 1.4097 2.5847 S.Moal M02 0.7223 0.3810 medium 5/ 31 0.6000 0.1750 1.3379 1.2474 2.5442 S.Gray M01 0.7211 0.3775 medium 6/ 31 0.6909 0.2083 1.8043 1.4538 2.2677 S.Oliva M10 0.7162 0.3628 medium 1/ 31 0.5455 0.0323 1.7557 1.1154 2.0564 Grudinin M10 0.7152 0.3598 medium 4/ 31 0.5636 0.1389 1.3717 1.2063 2.5983 S.Oliva M02 0.7141 0.3566 medium 3/ 31 0.5818 0.0588 2.4487 1.1322 1.6604 S.Oliva M03 0.7087 0.3409 medium 3/ 31 0.6000 0.0571 2.6313 1.1901 1.7600 Shen M09 0.7067 0.3348 medium 5/ 31 0.6000 0.1316 1.8605 1.3141 2.4725 Shen M03 0.7061 0.3332 medium 6/ 31 0.6000 0.1316 1.9424 1.3082 2.2991 Shen M05 0.7041 0.3271 medium 2/ 31 0.6000 0.1538 1.9434 1.3245 2.4763 Shen M06 0.7029 0.3236 medium 3/ 31 0.6182 0.1053 2.1664 1.3528 2.5586 S.Venclovas M10 0.7020 0.3209 medium 4/ 31 0.5818 0.1351 2.5904 1.2017 1.7285 SWARMDOCK M08 0.6979 0.3091 medium 4/ 31 0.6000 0.1750 2.6158 1.2755 2.3041 S.Huang M07 0.6965 0.3046 medium 3/ 31 0.5636 0.1389 2.7175 1.1781 1.7921 S.Huang M02 0.6951 0.3005 medium 2/ 31 0.5455 0.2105 1.5477 1.2982 2.8649 Vajda,Kozakov M01 0.6943 0.2982 medium 13/ 31 0.6182 0.2917 2.4913 1.3741 2.3017 CLUSPRO M01 0.6943 0.2982 medium 13/ 31 0.6182 0.2917 2.4913 1.3741 2.3017 Weng M10 0.6885 0.2812 medium 19/ 31 0.6364 0.2045 3.5418 1.2843 2.1783 SWARMDOCK M09 0.6861 0.2742 medium 3/ 31 0.6000 0.0833 2.7770 1.3436 2.3395 S.Venclovas M03 0.6827 0.2639 medium 3/ 31 0.5636 0.1143 2.8626 1.2602 1.8432 Weng M05 0.6824 0.2633 medium 30/ 31 0.6182 0.2609 3.5418 1.2843 2.1315 SWARMDOCK M03 0.6765 0.2458 medium 3/ 31 0.5273 0.0645 2.2314 1.3118 2.3328 S.Venclovas M07 0.6761 0.2446 medium 6/ 31 0.5636 0.1389 2.9323 1.3002 1.8499 Shen M07 0.6711 0.2299 medium 3/ 31 0.5818 0.1351 2.4299 1.4790 2.5231 Shen M10 0.6705 0.2281 medium 3/ 31 0.5273 0.1212 1.8632 1.4123 2.5640 S.Moal M03 0.6697 0.2256 medium 7/ 31 0.5818 0.2727 1.9707 1.5670 2.7943 SWARMDOCK M01 0.6647 0.2109 medium 2/ 31 0.5091 0.0667 2.6828 1.2883 2.2733 S.Oliva M09 0.6608 0.1996 medium 3/ 31 0.5455 0.0909 3.2062 1.3254 1.8845 SWARMDOCK M06 0.6358 0.1258 medium 3/ 31 0.4182 0.0800 2.5992 1.2903 2.2252 Huang M07 0.5998 0.0196 medium 8/ 31 0.5091 0.2632 3.8989 1.6118 2.3997 Huang M08 0.5861 -0.0208 medium 6/ 31 0.4727 0.2571 3.8230 1.6454 2.4201 SWARMDOCK M04 0.5860 -0.0212 medium 3/ 31 0.3818 0.0870 3.2110 1.4968 2.5023 DelCarpio M04 0.5744 -0.0553 medium 24/ 31 0.5455 0.3478 4.2315 1.9310 2.6235 SWARMDOCK M05 0.5632 -0.0884 medium 3/ 31 0.4182 0.0800 3.5150 1.7721 2.5063 DelCarpio M02 0.5283 -0.1914 medium 8/ 31 0.4182 0.4390 3.4806 2.2366 2.8560 SWARMDOCK M07 0.4834 -0.3237 acceptable 4/ 31 0.4182 0.1154 5.1138 2.3031 2.9591 S.Bonvin M07 0.4445 -0.4385 acceptable 5/ 31 0.4364 0.1111 6.6098 2.4418 2.8348 S.Seok M03 0.4427 -0.4439 acceptable 2/ 31 0.5273 0.3095 9.1680 2.0970 3.0670 DelCarpio M09 0.4377 -0.4585 acceptable 6/ 31 0.5091 0.2432 8.4634 2.2807 2.9869 DelCarpio M05 0.4372 -0.4600 acceptable 6/ 31 0.5091 0.3778 8.5461 2.2629 2.9911 DelCarpio M10 0.4304 -0.4802 acceptable 9/ 31 0.4909 0.2895 8.7335 2.2186 3.0280 DelCarpio M06 0.4079 -0.5465 acceptable 5/ 31 0.4000 0.2414 7.9828 2.3338 3.0155 Eisenstein M10 0.3905 -0.5978 acceptable 6/ 31 0.3455 0.1364 7.5135 2.5004 3.0653 Ritchie M02 0.3874 -0.6068 acceptable 10/ 31 0.3404 0.6098 6.7715 2.9078 3.2496 DelCarpio M08 0.3851 -0.6139 acceptable 7/ 31 0.4364 0.3143 9.2494 2.5246 3.3114 Fernandez-Recio M07 0.3718 -0.6529 acceptable 1/ 31 0.3091 0.4688 6.6846 3.1126 3.7564 DelCarpio M07 0.3634 -0.6778 acceptable 6/ 31 0.4182 0.4773 10.2995 2.4868 3.2873 S.Seok M10 0.3508 -0.7148 acceptable 6/ 31 0.4182 0.2333 9.0539 3.3648 3.9309 Fernandez-Recio M06 0.3444 -0.7339 acceptable 1/ 31 0.2545 0.5484 6.9256 3.2280 3.8628 S.Seok M07 0.3002 -0.8643 acceptable 0/ 31 0.1636 0.7632 6.8662 3.8510 4.4098 Fernandez-Recio M08 0.2911 -0.8910 acceptable 0/ 31 0.1636 0.7000 7.1686 3.9618 4.5653 Fernandez-Recio M04 0.2718 -0.9480 acceptable 1/ 31 0.2364 0.6667 9.6809 3.6637 4.2355 Ritchie M07 0.2684 -0.9578 incorrect 4/ 31 0.2766 0.6286 10.1119 4.1672 4.5991 Fernandez-Recio M02 0.2415 -1.0374 incorrect 1/ 31 0.0909 0.8077 8.5437 3.7796 4.3932 Vajda,Kozakov M08 0.2391 -1.0442 acceptable 7/ 31 0.1818 0.7368 9.9365 4.2006 4.6659 CLUSPRO M08 0.2391 -1.0442 acceptable 7/ 31 0.1818 0.7368 9.9365 4.2006 4.6659 Fernandez-Recio M10 0.2340 -1.0595 acceptable 3/ 31 0.2000 0.7317 11.3480 3.6789 4.3199 Fernandez-Recio M05 0.2333 -1.0615 acceptable 3/ 31 0.1455 0.7895 9.8417 3.9298 4.4040 Vajda,Kozakov M06 0.2028 -1.1515 incorrect 6/ 31 0.0364 0.9355 8.8730 4.6745 5.2240 CLUSPRO M06 0.2028 -1.1515 incorrect 6/ 31 0.0364 0.9355 8.8730 4.6745 5.2240 DelCarpio M03 0.1927 -1.1811 incorrect 18/ 31 0.3091 0.8618 16.9199 5.5698 5.7289 DelCarpio M01 0.1520 -1.3013 incorrect 3/ 31 0.0182 0.9286 10.8515 6.0700 6.2537 Fernandez-Recio M03 0.1466 -1.3171 incorrect 0/ 31 0.0364 0.9048 12.1997 5.2050 5.5867 Fernandez-Recio M09 0.1221 -1.3895 incorrect 1/ 31 0.0545 0.8929 15.5473 5.0284 5.5713 Vajda,Kozakov M10 0.0889 -1.4875 incorrect 3/ 31 0.0727 0.8750 18.7133 9.7967 9.9452 CLUSPRO M10 0.0889 -1.4875 incorrect 3/ 31 0.0727 0.8750 18.7133 9.7967 9.9452 S.Gray M09 0.0760 -1.5255 incorrect 3/ 31 0.0182 0.9714 18.1495 8.5485 8.6773 Vajda,Kozakov M09 0.0750 -1.5284 incorrect 6/ 31 0.0364 0.9333 20.0558 7.7245 8.1330 CLUSPRO M09 0.0750 -1.5284 incorrect 6/ 31 0.0364 0.9333 20.0558 7.7245 8.1330 S.Gray M07 0.0732 -1.5336 incorrect 4/ 31 0.0545 0.9333 20.8526 9.8384 9.8860 S.Fernandez-Recio M05 0.0714 -1.5389 incorrect 24/ 31 0.0545 0.9583 20.2248 15.1681 17.0025 S.Weng M02 0.0631 -1.5637 incorrect 23/ 31 0.0000 1.0000 18.2037 14.8069 15.3704 S.Chang M01 0.0631 -1.5637 incorrect 24/ 31 0.0000 1.0000 18.2037 14.8069 15.2761 S.Fernandez-Recio M01 0.0617 -1.5676 incorrect 6/ 31 0.0364 0.9710 21.0462 16.1737 18.3539 S.Weng M01 0.0593 -1.5747 incorrect 18/ 31 0.0000 1.0000 18.8259 16.1008 16.4253 S.Fernandez-Recio M10 0.0556 -1.5856 incorrect 24/ 31 0.0000 1.0000 19.6700 15.3181 17.1960 S.Weng M05 0.0550 -1.5874 incorrect 15/ 31 0.0727 0.9452 28.0627 16.4170 16.7524 Moal M03 0.0550 -1.5874 incorrect 19/ 31 0.0727 0.9444 28.0627 16.4170 16.7158 S.Fernandez-Recio M03 0.0548 -1.5881 incorrect 19/ 31 0.0727 0.9444 28.1816 16.4867 16.7992 Eisenstein M06 0.0542 -1.5898 incorrect 7/ 31 0.0182 0.9783 22.4241 10.8439 11.8412 Gray M09 0.0538 -1.5909 incorrect 0/ 31 0.0000 1.0000 22.3520 7.8662 8.6733 S.Bonvin M09 0.0526 -1.5945 incorrect 12/ 31 0.0182 0.9762 22.9717 10.7364 11.7536 Moal M01 0.0519 -1.5965 incorrect 21/ 31 0.0909 0.9375 34.8369 16.0356 17.3627 S.Gray M08 0.0516 -1.5975 incorrect 3/ 31 0.0000 1.0000 21.6661 10.1500 10.6256 S.Weng M09 0.0508 -1.5999 incorrect 8/ 31 0.0909 0.9265 36.1667 15.6640 17.2983 Moal M02 0.0508 -1.5999 incorrect 12/ 31 0.0909 0.9351 36.1667 15.6640 17.1645 S.Moal M04 0.0478 -1.6086 incorrect 12/ 31 0.0000 1.0000 21.6193 15.2662 15.9037 Moal M10 0.0476 -1.6092 incorrect 12/ 31 0.0000 1.0000 21.6766 15.2883 15.8961 Vajda,Kozakov M04 0.0467 -1.6118 incorrect 7/ 31 0.0000 1.0000 22.6092 11.6238 12.4886 CLUSPRO M04 0.0467 -1.6118 incorrect 7/ 31 0.0000 1.0000 22.6092 11.6238 12.4886 S.Fernandez-Recio M06 0.0451 -1.6166 incorrect 10/ 31 0.0545 0.9583 30.5074 15.9668 17.5800 Vajda,Kozakov M03 0.0430 -1.6229 incorrect 8/ 31 0.0000 1.0000 25.4584 8.7423 9.4840 CLUSPRO M03 0.0430 -1.6229 incorrect 8/ 31 0.0000 1.0000 25.4584 8.7423 9.4840 S.Gray M10 0.0424 -1.6246 incorrect 4/ 31 0.0000 1.0000 24.0942 11.5853 11.6827 GRAMM-X M02 0.0421 -1.6254 incorrect 6/ 31 0.0182 0.9796 29.5065 8.3170 8.9507 S.Weng M04 0.0421 -1.6256 incorrect 10/ 31 0.0182 0.9870 25.4608 17.0296 17.7542 Vakser M03 0.0416 -1.6268 incorrect 6/ 31 0.0182 0.9756 29.7972 8.3187 9.0786 Vakser M05 0.0416 -1.6268 incorrect 9/ 31 0.0182 0.9756 29.7472 8.3534 9.1068 S.Weng M08 0.0416 -1.6271 incorrect 19/ 31 0.0000 1.0000 23.1880 18.9976 18.1736 Ritchie M04 0.0399 -1.6318 incorrect 7/ 31 0.0000 1.0000 24.7989 12.2841 13.4548 S.Weng M03 0.0395 -1.6332 incorrect 13/ 31 0.0545 0.9577 35.1410 16.0183 17.0846 S.Chang M06 0.0395 -1.6332 incorrect 14/ 31 0.0545 0.9625 35.1410 16.0183 17.1054 S.Chang M08 0.0393 -1.6336 incorrect 13/ 31 0.0000 1.0000 23.9856 18.6459 19.3624 S.Weng M07 0.0392 -1.6339 incorrect 5/ 31 0.0364 0.9672 30.4040 15.9260 17.4966 S.Fernandez-Recio M09 0.0375 -1.6390 incorrect 5/ 31 0.0364 0.9630 31.6437 15.8900 17.3123 Ritchie M10 0.0362 -1.6428 incorrect 5/ 31 0.0000 1.0000 27.0228 10.8953 11.1916 S.Seok M05 0.0359 -1.6437 incorrect 0/ 31 0.0000 1.0000 25.7647 15.2150 15.0765 Vajda,Kozakov M02 0.0353 -1.6456 incorrect 3/ 31 0.0000 1.0000 27.2265 11.3978 11.6879 CLUSPRO M02 0.0353 -1.6456 incorrect 3/ 31 0.0000 1.0000 27.2265 11.3978 11.6879 Moal M07 0.0349 -1.6466 incorrect 18/ 31 0.0364 0.9701 33.6647 16.1867 17.6970 S.Fernandez-Recio M08 0.0349 -1.6467 incorrect 12/ 31 0.0364 0.9697 33.7115 16.2292 17.7738 Eisenstein M08 0.0339 -1.6497 incorrect 12/ 31 0.0000 1.0000 27.2704 12.9990 13.5358 GRAMM-X M09 0.0334 -1.6510 incorrect 7/ 31 0.0000 1.0000 28.4636 10.9574 11.5774 S.Chang M03 0.0318 -1.6557 incorrect 20/ 31 0.0182 0.9905 30.6793 19.2596 19.5947 S.Huang M03 0.0318 -1.6557 incorrect 20/ 31 0.0182 0.9904 30.6794 19.2596 19.5946 Eisenstein M04 0.0313 -1.6572 incorrect 9/ 31 0.0000 1.0000 28.5732 13.2277 13.8151 S.Bonvin M10 0.0311 -1.6579 incorrect 14/ 31 0.0000 1.0000 29.8329 11.0002 11.6470 Grudinin M08 0.0300 -1.6612 incorrect 1/ 31 0.0000 1.0000 30.3196 11.3645 11.8116 Ritchie M01 0.0294 -1.6629 incorrect 10/ 31 0.0000 1.0000 30.8596 11.1650 11.7698 S.Chang M07 0.0294 -1.6630 incorrect 13/ 31 0.0182 0.9881 32.1749 21.8090 20.9913 Gray M10 0.0288 -1.6647 incorrect 0/ 31 0.0182 0.9091 36.7053 11.3073 12.2775 S.Fernandez-Recio M04 0.0285 -1.6656 incorrect 11/ 31 0.0364 0.9737 39.2788 22.7732 21.6691 Vajda,Kozakov M07 0.0284 -1.6660 incorrect 8/ 31 0.0000 1.0000 30.2592 13.6496 14.7833 CLUSPRO M07 0.0284 -1.6660 incorrect 8/ 31 0.0000 1.0000 30.2592 13.6496 14.7833 S.Seok M01 0.0281 -1.6667 incorrect 2/ 31 0.0000 1.0000 31.8298 11.1619 11.0663 Ritchie M06 0.0275 -1.6684 incorrect 10/ 31 0.0000 1.0000 31.7124 11.9279 12.6603 GRAMM-X M04 0.0250 -1.6758 incorrect 6/ 31 0.0000 1.0000 33.6394 12.1250 13.0815 S.Bonvin M08 0.0243 -1.6779 incorrect 12/ 31 0.0000 1.0000 33.0775 14.2428 14.2098 Huang M05 0.0241 -1.6786 incorrect 14/ 31 0.0000 1.0000 33.1752 14.4409 14.4817 Huang M06 0.0239 -1.6792 incorrect 15/ 31 0.0000 1.0000 33.3407 14.5016 14.5459 S.Moal M05 0.0237 -1.6798 incorrect 9/ 31 0.0182 0.9762 41.9226 12.8904 13.6601 Ritchie M09 0.0232 -1.6813 incorrect 6/ 31 0.0000 1.0000 35.3880 12.1799 13.0470 Weng M07 0.0227 -1.6826 clashes,incorrect 51/ 31 0.0000 1.0000 36.5377 11.4588 11.7604 Weng M02 0.0227 -1.6826 clashes,incorrect 95/ 31 0.0000 1.0000 36.5377 11.4588 11.4905 Vajda,Kozakov M05 0.0226 -1.6830 incorrect 5/ 31 0.0000 1.0000 33.9088 16.0682 16.5281 CLUSPRO M05 0.0226 -1.6830 incorrect 5/ 31 0.0000 1.0000 33.9088 16.0682 16.5281 Ritchie M08 0.0225 -1.6832 incorrect 7/ 31 0.0000 1.0000 34.3924 14.9384 14.7424 Eisenstein M09 0.0224 -1.6836 incorrect 8/ 31 0.0000 1.0000 34.7329 14.4207 14.5115 S.Fernandez-Recio M02 0.0221 -1.6845 clashes,incorrect 48/ 31 0.0000 1.0000 34.1286 16.8667 18.6753 S.Seok M04 0.0218 -1.6852 incorrect 8/ 31 0.0000 1.0000 37.3952 11.6300 11.9068 Moal M04 0.0215 -1.6862 incorrect 10/ 31 0.0000 1.0000 33.8854 20.5540 20.2048 Moal M06 0.0213 -1.6869 incorrect 16/ 31 0.0000 1.0000 34.8413 17.1461 17.8667 S.Moal M06 0.0210 -1.6877 incorrect 8/ 31 0.0000 1.0000 35.5557 15.7551 16.6383 GRAMM-X M07 0.0200 -1.6906 incorrect 5/ 31 0.0000 1.0000 38.1530 13.2160 14.3536 S.Chang M02 0.0195 -1.6921 incorrect 21/ 31 0.0000 1.0000 36.3232 18.4609 18.6029 S.Weng M06 0.0191 -1.6934 incorrect 13/ 31 0.0000 1.0000 37.8042 15.7055 17.3867 Grudinin M03 0.0188 -1.6942 incorrect 3/ 31 0.0000 1.0000 37.6964 16.7494 17.3346 Ritchie M03 0.0187 -1.6945 incorrect 4/ 31 0.0000 1.0000 38.1833 15.8422 16.4510 S.Huang M01 0.0184 -1.6953 incorrect 20/ 31 0.0000 1.0000 37.3629 19.2631 19.1404 S.Chang M04 0.0184 -1.6953 incorrect 20/ 31 0.0000 1.0000 37.3629 19.2631 19.1404 Moal M08 0.0173 -1.6987 incorrect 10/ 31 0.0000 1.0000 39.2397 17.8717 18.4067 S.Moal M07 0.0158 -1.7030 incorrect 17/ 31 0.0000 1.0000 42.4123 15.8678 17.2404 Eisenstein M07 0.0156 -1.7037 incorrect 3/ 31 0.0000 1.0000 42.1114 17.1709 17.9325 GRAMM-X M10 0.0148 -1.7061 incorrect 8/ 31 0.0000 1.0000 43.3345 17.5601 17.9506 Moal M09 0.0143 -1.7074 incorrect 10/ 31 0.0000 1.0000 44.2362 17.4187 17.6959 GRAMM-X M03 0.0138 -1.7088 incorrect 6/ 31 0.0000 1.0000 51.1615 12.3050 13.3606 GRAMM-X M08 0.0130 -1.7113 incorrect 5/ 31 0.0000 1.0000 52.1298 13.0321 14.1820 GRAMM-X M05 0.0129 -1.7117 incorrect 10/ 31 0.0000 1.0000 47.8400 16.7219 17.1957 S.Chang M05 0.0127 -1.7122 incorrect 21/ 31 0.0000 1.0000 46.2302 20.4581 19.9039 GRAMM-X M06 0.0114 -1.7160 incorrect 10/ 31 0.0000 1.0000 51.7204 16.7935 17.0662 Vakser M06 0.0113 -1.7164 incorrect 0/ 31 0.0000 1.0000 49.8151 20.1561 21.4161 Moal M05 0.0103 -1.7194 incorrect 4/ 31 0.0000 1.0000 50.7981 25.0880 24.5286

Target: T112.1

Group Model DockQ Zscore Classification nclash fnat fnonnat lrmsd irmsdbb irmsdsc Eisenstein M03 0.4569 1.5918 acceptable 20/ 42 0.6604 0.4531 8.1335 3.1150 4.2676 Guerois M02 0.4496 1.5449 acceptable 12/ 42 0.4906 0.5185 5.4797 3.5456 4.5160 S.Venclovas M03 0.4365 1.4600 acceptable 16/ 42 0.5283 0.3333 7.4280 2.8742 4.0617 S.Venclovas M04 0.4352 1.4516 acceptable 19/ 42 0.5472 0.3095 7.7353 2.8984 4.0754 Shen M10 0.4347 1.4489 acceptable 10/ 42 0.6604 0.5395 7.5997 4.8275 5.7878 Shen M06 0.4271 1.3999 acceptable 9/ 42 0.6604 0.5570 7.9566 4.8282 5.7549 Shen M02 0.4238 1.3784 acceptable 11/ 42 0.6415 0.5696 7.8596 4.7450 5.7772 Gray M07 0.4231 1.3741 acceptable 2/ 42 0.3774 0.2000 5.8138 2.9030 4.8674 Shen M08 0.4201 1.3545 acceptable 10/ 42 0.6226 0.6163 7.7014 4.8121 5.7847 S.Fernandez-Recio M02 0.4195 1.3504 acceptable 8/ 42 0.5283 0.6164 8.0289 2.9849 5.3208 Gray M08 0.4191 1.3477 acceptable 2/ 42 0.3774 0.2308 5.9342 2.9318 4.8877 Fernandez-Recio M01 0.4158 1.3267 acceptable 9/ 42 0.6038 0.6235 7.8020 4.4787 5.8610 Zou M02 0.4141 1.3160 acceptable 9/ 42 0.5283 0.6216 8.2350 3.0161 5.1462 S.SWARMDOCK M04 0.4141 1.3160 acceptable 9/ 42 0.5283 0.6216 8.2350 3.0161 5.1462 S.Zou M09 0.4140 1.3153 acceptable 9/ 42 0.5283 0.6056 8.2351 3.0193 5.1423 Zou M06 0.4130 1.3087 acceptable 11/ 42 0.5094 0.6250 8.0310 2.9883 5.3100 S.Weng M08 0.4130 1.3087 acceptable 11/ 42 0.5094 0.6250 8.0310 2.9883 5.3100 S.SWARMDOCK M05 0.4130 1.3087 acceptable 11/ 42 0.5094 0.6250 8.0310 2.9883 5.3100 S.Huang M10 0.4109 1.2951 acceptable 8/ 42 0.5094 0.6197 8.1543 2.9762 5.4405 Zou M10 0.4109 1.2951 acceptable 8/ 42 0.5094 0.6197 8.1544 2.9762 5.4406 S.Zou M02 0.4108 1.2945 acceptable 10/ 42 0.5094 0.6197 8.1550 2.9787 5.4357 S.Oliva M06 0.4036 1.2477 acceptable 2/ 42 0.3208 0.2273 5.7977 2.9324 4.8825 S.Grudinin M06 0.4026 1.2413 acceptable 1/ 42 0.4717 0.5833 7.9889 2.9539 5.3253 S.Zou M10 0.4025 1.2409 acceptable 4/ 42 0.5094 0.5846 8.3589 3.1000 5.5226 Zou M08 0.4023 1.2397 acceptable 3/ 42 0.5094 0.5781 8.3662 3.1009 5.5312 S.SWARMDOCK M02 0.4023 1.2397 acceptable 3/ 42 0.5094 0.5781 8.3662 3.1009 5.5312 S.Chang M09 0.4023 1.2397 acceptable 3/ 42 0.5094 0.5781 8.3662 3.1009 5.5312 S.Grudinin M10 0.3999 1.2238 acceptable 6/ 42 0.4906 0.6061 8.3694 2.9886 5.1267 S.Bonvin M05 0.3996 1.2220 acceptable 6/ 42 0.5000 0.5952 8.4204 3.0575 5.5597 S.Moal M03 0.3983 1.2135 acceptable 11/ 42 0.4906 0.6533 8.3847 3.0251 5.1594 Shen M04 0.3975 1.2088 acceptable 11/ 42 0.5660 0.4915 7.8096 4.9429 6.2714 Vakser M01 0.3966 1.2028 acceptable 12/ 42 0.5283 0.5942 7.8835 3.9884 4.9287 S.Oliva M02 0.3954 1.1952 acceptable 2/ 42 0.3208 0.1905 6.0216 3.0036 4.9349 Gray M01 0.3951 1.1933 acceptable 5/ 42 0.5283 0.1765 6.9997 5.8771 7.1150 S.Oliva M03 0.3946 1.1899 acceptable 2/ 42 0.3208 0.1905 6.0665 2.9955 4.9336 S.Oliva M01 0.3946 1.1897 acceptable 2/ 42 0.3208 0.1905 6.0794 2.9875 4.9423 Zou M04 0.3942 1.1874 acceptable 7/ 42 0.4717 0.5763 8.2745 3.0239 5.5345 S.Chang M10 0.3942 1.1874 acceptable 7/ 42 0.4717 0.5763 8.2746 3.0239 5.5345 Venclovas M03 0.3927 1.1776 clashes,acceptable 76/ 42 0.5094 0.6824 7.3674 4.5592 5.8255 S.Fernandez-Recio M10 0.3911 1.1676 acceptable 4/ 42 0.6038 0.6049 8.8046 4.8520 6.2999 S.Oliva M09 0.3910 1.1669 acceptable 2/ 42 0.3019 0.2381 5.9910 2.9712 4.9246 S.Oliva M08 0.3902 1.1613 acceptable 2/ 42 0.3019 0.2000 6.0063 2.9847 4.9237 S.Oliva M04 0.3898 1.1591 acceptable 2/ 42 0.3019 0.2381 5.9964 3.0011 4.9395 S.Oliva M07 0.3894 1.1563 acceptable 2/ 42 0.3019 0.2000 6.0378 2.9848 4.9318 Gray M02 0.3882 1.1486 acceptable 2/ 42 0.4340 0.2333 5.9968 5.7897 6.9005 S.Oliva M05 0.3869 1.1404 acceptable 2/ 42 0.3019 0.2000 6.1021 3.0097 4.9452 S.Gray M04 0.3853 1.1299 acceptable 7/ 42 0.5094 0.4375 9.1018 3.1948 4.2709 Vakser M09 0.3852 1.1296 acceptable 13/ 42 0.5472 0.5397 8.9254 3.8308 4.8495 S.Gray M02 0.3839 1.1212 acceptable 7/ 42 0.4906 0.5094 8.7785 3.2307 4.2376 Shen M03 0.3833 1.1170 acceptable 14/ 42 0.6038 0.5429 9.1173 5.0493 6.2742 Weng M01 0.3812 1.1033 clashes,acceptable 65/ 42 0.5849 0.6173 9.3124 4.3995 5.0685 S.Gray M03 0.3796 1.0929 acceptable 7/ 42 0.4906 0.5738 8.8764 3.3177 4.2446 S.Gray M05 0.3788 1.0879 acceptable 11/ 42 0.4717 0.6212 8.6868 3.2507 5.5666 Huang M02 0.3717 1.0425 acceptable 21/ 42 0.3396 0.6250 6.2667 3.9190 5.4087 Guerois M04 0.3651 0.9993 acceptable 8/ 42 0.5094 0.6250 9.3535 3.8220 5.2236 Ritchie M03 0.3645 0.9959 acceptable 7/ 42 0.4528 0.4667 7.7366 4.6598 6.0531 Guerois M10 0.3636 0.9897 acceptable 7/ 42 0.4906 0.5357 8.7750 4.1400 5.1922 Vakser M02 0.3610 0.9731 acceptable 8/ 42 0.5094 0.5909 9.1408 4.2692 5.0721 Negi M01 0.3609 0.9725 acceptable 13/ 42 0.5660 0.5833 9.7124 4.9859 6.6833 Guerois M03 0.3592 0.9613 acceptable 5/ 42 0.4528 0.4894 8.4925 3.9823 4.9998 Eisenstein M01 0.3562 0.9423 acceptable 11/ 42 0.5283 0.5556 9.6411 4.4258 5.1721 S.LZERD M01 0.3553 0.9363 acceptable 13/ 42 0.4906 0.6667 8.7281 4.8130 6.0315 HADDOCK M07 0.3552 0.9354 acceptable 7/ 42 0.5094 0.5091 9.5878 4.1408 5.5448 Vakser M08 0.3547 0.9327 acceptable 11/ 42 0.5283 0.6000 9.4253 4.8472 6.3050 S.SWARMDOCK M01 0.3542 0.9295 incorrect 4/ 42 0.5660 0.5455 10.6132 4.3573 5.6102 Gray M04 0.3540 0.9277 acceptable 2/ 42 0.3396 0.2174 6.1008 5.8205 6.9361 Guerois M08 0.3539 0.9273 acceptable 3/ 42 0.3774 0.5349 7.7999 3.6955 5.2025 S.Zou M05 0.3537 0.9261 incorrect 12/ 42 0.5660 0.6250 10.1878 4.9295 6.0575 Zou M03 0.3536 0.9251 incorrect 12/ 42 0.5660 0.6296 10.2012 4.9250 6.0536 S.LZERD M04 0.3531 0.9224 acceptable 10/ 42 0.5094 0.6447 9.3762 4.5270 5.3454 HADDOCK M03 0.3527 0.9199 incorrect 5/ 42 0.5660 0.5652 10.2485 4.9309 6.4720 Venclovas M04 0.3525 0.9182 acceptable 12/ 42 0.4906 0.6389 8.8923 4.7866 5.9134 Takeda-Shitaka M02 0.3521 0.9154 incorrect 28/ 42 0.5660 0.5652 10.2561 4.9864 6.7199 Vajda,Kozakov M05 0.3471 0.8837 acceptable 13/ 42 0.4340 0.6667 8.1634 4.8515 6.7762 CLUSPRO M05 0.3471 0.8837 acceptable 13/ 42 0.4340 0.6667 8.1634 4.8515 6.7762 HADDOCK M06 0.3465 0.8793 incorrect 7/ 42 0.5283 0.5625 10.4073 4.2465 5.6419 Venclovas M01 0.3462 0.8778 acceptable 23/ 42 0.4717 0.6429 8.9087 4.7569 5.9102 Takeda-Shitaka M06 0.3460 0.8762 incorrect 17/ 42 0.5472 0.5538 10.2653 4.9543 6.6653 S.Chang M03 0.3451 0.8702 incorrect 9/ 42 0.5472 0.5972 10.3078 4.9790 6.5591 Guerois M07 0.3448 0.8687 acceptable 5/ 42 0.4717 0.5455 8.9603 4.7964 6.1562 S.Seok M02 0.3446 0.8673 acceptable 6/ 42 0.4717 0.6667 9.2776 4.3619 5.1736 HADDOCK M05 0.3444 0.8658 incorrect 6/ 42 0.5283 0.5882 10.5215 4.2688 5.6027 Vakser M10 0.3442 0.8648 incorrect 12/ 42 0.5283 0.5821 10.0476 4.8525 6.1277 Zacharias M10 0.3442 0.8648 acceptable 1/ 42 0.5283 0.6316 9.9004 5.0867 6.3931 Negi M02 0.3436 0.8606 acceptable 7/ 42 0.5283 0.5882 9.9211 5.1186 6.7759 Zacharias M01 0.3427 0.8550 incorrect 1/ 42 0.5283 0.5484 10.1013 4.9139 6.2303 Zacharias M09 0.3424 0.8533 incorrect 3/ 42 0.5283 0.6267 10.0199 5.0689 6.3994 Zacharias M04 0.3416 0.8477 incorrect 2/ 42 0.5283 0.5882 10.1102 5.0092 6.2906 HADDOCK M04 0.3411 0.8447 incorrect 10/ 42 0.5283 0.6111 10.1486 4.9948 6.5842 Venclovas M08 0.3404 0.8404 incorrect 9/ 42 0.5472 0.5246 10.5765 5.0291 6.8637 Negi M03 0.3404 0.8400 incorrect 8/ 42 0.5283 0.5942 10.0748 5.1935 6.7986 LZERD M10 0.3402 0.8390 incorrect 10/ 42 0.5660 0.5775 11.1704 4.8300 6.3922 Kihara M10 0.3402 0.8390 incorrect 10/ 42 0.5660 0.5775 11.1704 4.8300 6.3922 LZERD M07 0.3399 0.8368 incorrect 7/ 42 0.5660 0.5890 11.1930 4.8328 6.3969 Kihara M07 0.3399 0.8368 incorrect 7/ 42 0.5660 0.5890 11.1930 4.8328 6.3969 Huang M04 0.3388 0.8300 acceptable 19/ 42 0.3019 0.6923 6.9579 4.1453 5.4738 Negi M04 0.3385 0.8278 incorrect 8/ 42 0.5283 0.5821 10.1816 5.2149 6.8162 S.Grudinin M03 0.3374 0.8208 incorrect 7/ 42 0.5094 0.6250 10.0494 4.8987 6.0423 Zou M05 0.3373 0.8205 incorrect 13/ 42 0.5283 0.6000 10.4941 4.8413 6.0229 S.SWARMDOCK M10 0.3373 0.8205 incorrect 13/ 42 0.5283 0.6000 10.4941 4.8413 6.0229 Negi M05 0.3372 0.8193 incorrect 7/ 42 0.5283 0.5942 10.2576 5.2278 6.8046 Negi M06 0.3367 0.8166 incorrect 9/ 42 0.5283 0.5758 10.2849 5.2265 6.7933 S.Chang M08 0.3367 0.8161 incorrect 3/ 42 0.5094 0.5574 10.6216 4.2618 5.4977 Guerois M09 0.3364 0.8144 incorrect 7/ 42 0.4906 0.5938 10.2173 4.2755 5.8822 Negi M07 0.3360 0.8118 incorrect 9/ 42 0.5283 0.5692 10.3289 5.2325 6.7843 S.Fernandez-Recio M01 0.3351 0.8063 incorrect 6/ 42 0.5094 0.5909 10.6713 4.3138 5.6337 S.Gray M01 0.3349 0.8049 acceptable 6/ 42 0.4528 0.5385 10.5153 3.4785 4.6948 HADDOCK M10 0.3346 0.8024 incorrect 7/ 42 0.5849 0.4561 11.4595 5.7442 6.9564 S.Venclovas M07 0.3342 0.8001 incorrect 7/ 42 0.5094 0.5345 10.2971 4.8324 6.0127 Seok M01 0.3342 0.8001 incorrect 7/ 42 0.5094 0.5345 10.2971 4.8324 6.0127 LZERD M09 0.3341 0.7996 incorrect 6/ 42 0.5472 0.5857 11.1553 4.8354 6.2084 Kihara M09 0.3341 0.7996 incorrect 6/ 42 0.5472 0.5857 11.1553 4.8354 6.2084 LZERD M03 0.3339 0.7982 incorrect 9/ 42 0.5472 0.5857 11.1663 4.8413 6.3622 Kihara M03 0.3339 0.7982 incorrect 9/ 42 0.5472 0.5857 11.1663 4.8413 6.3622 LZERD M06 0.3338 0.7975 incorrect 5/ 42 0.5472 0.5538 11.1691 4.8469 6.3018 Kihara M06 0.3338 0.7975 incorrect 5/ 42 0.5472 0.5538 11.1691 4.8469 6.3018 LZERD M01 0.3337 0.7970 incorrect 5/ 42 0.5472 0.5672 11.1847 4.8342 6.3033 Kihara M01 0.3337 0.7970 incorrect 5/ 42 0.5472 0.5672 11.1847 4.8342 6.3033 Zacharias M06 0.3326 0.7897 acceptable 2/ 42 0.4906 0.6338 9.7944 5.1748 6.4196 S.Bonvin M06 0.3316 0.7832 incorrect 5/ 42 0.5294 0.5714 11.1219 4.5880 5.6692 S.Zou M08 0.3311 0.7800 incorrect 13/ 42 0.5094 0.6143 10.4906 4.8446 6.0286 Seok M10 0.3308 0.7780 acceptable 1/ 42 0.4717 0.4898 9.7207 4.8501 6.3670 Wallner M01 0.3303 0.7748 acceptable 8/ 42 0.4528 0.5000 9.3850 4.8487 6.2054 S.Bonvin M07 0.3303 0.7747 incorrect 2/ 42 0.5294 0.6000 11.2433 4.5590 5.7136 S.SWARMDOCK M06 0.3301 0.7737 incorrect 4/ 42 0.4906 0.6232 10.6429 4.2613 5.6605 S.Chang M06 0.3301 0.7737 incorrect 4/ 42 0.4906 0.6232 10.6429 4.2613 5.6605 HADDOCK M08 0.3301 0.7737 incorrect 4/ 42 0.4906 0.6232 10.6429 4.2613 5.6605 Negi M08 0.3293 0.7688 incorrect 9/ 42 0.5094 0.5714 10.3483 5.2404 6.7849 S.Bonvin M03 0.3293 0.7683 incorrect 6/ 42 0.5294 0.5909 10.7421 5.3314 7.1272 S.Zou M07 0.3292 0.7680 incorrect 15/ 42 0.5283 0.6000 10.9995 4.9070 6.1028 Zou M07 0.3291 0.7673 incorrect 14/ 42 0.5283 0.6000 11.0094 4.9039 6.0970 S.Chang M05 0.3291 0.7673 incorrect 14/ 42 0.5283 0.6000 11.0094 4.9039 6.0970 S.Huang M07 0.3291 0.7673 incorrect 14/ 42 0.5283 0.6000 11.0095 4.9039 6.0970 Negi M09 0.3290 0.7668 incorrect 9/ 42 0.5094 0.5714 10.3656 5.2456 6.7887 HADDOCK M01 0.3288 0.7653 incorrect 6/ 42 0.4906 0.5938 10.6990 4.2927 5.6969 Negi M10 0.3287 0.7650 incorrect 9/ 42 0.5094 0.5714 10.3801 5.2511 6.7924 Zacharias M02 0.3285 0.7635 incorrect 1/ 42 0.5094 0.6447 10.4495 5.1590 6.5074 Vakser M06 0.3285 0.7632 acceptable 3/ 42 0.4340 0.6230 9.5170 4.3186 5.9997 Seok M05 0.3281 0.7606 acceptable 1/ 42 0.4717 0.4898 9.8543 4.8930 6.4304 LZERD M02 0.3280 0.7600 incorrect 5/ 42 0.5283 0.5882 11.1459 4.8324 6.3947 Kihara M02 0.3280 0.7600 incorrect 5/ 42 0.5283 0.5882 11.1459 4.8324 6.3947 S.Bonvin M04 0.3278 0.7592 incorrect 4/ 42 0.5294 0.5500 10.8366 5.3364 6.9608 LZERD M04 0.3278 0.7586 incorrect 7/ 42 0.5283 0.5410 11.1497 4.8466 6.2125 Kihara M04 0.3278 0.7586 incorrect 7/ 42 0.5283 0.5410 11.1497 4.8466 6.2125 S.Zou M03 0.3277 0.7580 incorrect 7/ 42 0.5472 0.4912 10.9933 5.8520 7.2195 S.Moal M07 0.3276 0.7579 incorrect 12/ 42 0.5472 0.5000 11.0295 5.7785 7.1840 Wallner M02 0.3269 0.7533 acceptable 7/ 42 0.4528 0.5000 9.5834 4.8384 6.0305 S.Bonvin M02 0.3269 0.7528 incorrect 6/ 42 0.5294 0.5610 10.8736 5.3904 7.1029 S.Grudinin M01 0.3255 0.7441 incorrect 9/ 42 0.4906 0.5517 10.3904 4.9217 6.0414 Takeda-Shitaka M05 0.3247 0.7391 incorrect 15/ 42 0.4906 0.5517 10.3560 5.0493 6.8708 S.Zou M04 0.3247 0.7391 incorrect 1/ 42 0.4906 0.5357 10.3789 5.0144 6.4301 Zacharias M05 0.3244 0.7369 incorrect 3/ 42 0.4717 0.5833 10.0245 4.9785 6.2232 Takeda-Shitaka M07 0.3242 0.7358 incorrect 20/ 42 0.4906 0.6000 10.4303 4.9857 6.4766 Zacharias M03 0.3236 0.7315 incorrect 3/ 42 0.4717 0.5968 10.0536 5.0143 6.2755 S.Venclovas M05 0.3232 0.7295 incorrect 11/ 42 0.4906 0.5593 10.5469 4.9098 6.1149 Seok M02 0.3232 0.7295 incorrect 11/ 42 0.4906 0.5593 10.5469 4.9098 6.1149 S.Grudinin M08 0.3229 0.7273 incorrect 2/ 42 0.4717 0.5763 10.6847 4.2790 5.5297 S.SWARMDOCK M07 0.3226 0.7255 incorrect 4/ 42 0.4717 0.5968 10.6678 4.3147 5.6052 Venclovas M10 0.3223 0.7232 incorrect 13/ 42 0.4906 0.5000 10.5203 5.0445 6.8540 LZERD M05 0.3213 0.7168 incorrect 7/ 42 0.5094 0.5714 11.1690 4.8386 6.3343 Kihara M05 0.3213 0.7168 incorrect 7/ 42 0.5094 0.5714 11.1690 4.8386 6.3343 S.Chang M04 0.3206 0.7126 incorrect 10/ 42 0.5094 0.5846 10.9517 5.2095 6.7483 S.Zou M01 0.3205 0.7117 incorrect 13/ 42 0.5094 0.6582 11.1114 4.9898 6.0805 Zou M09 0.3204 0.7111 incorrect 13/ 42 0.5094 0.6538 11.1184 4.9889 6.0805 S.Huang M05 0.3204 0.7111 incorrect 13/ 42 0.5094 0.6538 11.1184 4.9889 6.0806 S.Chang M02 0.3204 0.7111 incorrect 13/ 42 0.5094 0.6538 11.1184 4.9889 6.0805 Grudinin M02 0.3202 0.7097 acceptable 32/ 42 0.4528 0.5200 9.9720 4.8624 5.9315 Vakser M03 0.3201 0.7095 acceptable 6/ 42 0.3774 0.7015 8.9696 4.2691 5.7686 Seok M04 0.3200 0.7085 incorrect 1/ 42 0.4717 0.4898 10.3472 4.9102 6.4028 S.Bonvin M09 0.3197 0.7069 incorrect 3/ 42 0.5588 0.4722 11.6218 6.4083 8.0746 Zacharias M07 0.3197 0.7066 acceptable 2/ 42 0.4528 0.6712 9.8189 5.1595 6.3894 Vakser M07 0.3197 0.7065 incorrect 8/ 42 0.4528 0.5556 10.0220 4.8326 6.1092 Venclovas M09 0.3196 0.7063 incorrect 38/ 42 0.5283 0.5556 11.2070 5.6673 6.9285 Seok M07 0.3194 0.7048 incorrect 1/ 42 0.4717 0.4898 10.3638 4.9410 6.4602 S.SWARMDOCK M09 0.3193 0.7043 incorrect 5/ 42 0.5283 0.5000 11.1325 5.8637 7.2690 Seok M08 0.3193 0.7042 incorrect 1/ 42 0.4717 0.4898 10.3272 5.0052 6.4801 Seok M06 0.3188 0.7011 incorrect 1/ 42 0.4717 0.4898 10.3958 4.9487 6.4607 Seok M03 0.3186 0.6995 incorrect 1/ 42 0.4717 0.4898 10.4378 4.9105 6.4025 Shen M07 0.3184 0.6982 acceptable 11/ 42 0.4340 0.6102 9.6210 4.9921 6.2313 Vakser M05 0.3182 0.6972 acceptable 6/ 42 0.3774 0.6552 9.1781 4.1484 5.6853 S.Bonvin M01 0.3175 0.6927 incorrect 4/ 42 0.5000 0.5405 10.8274 5.4129 7.2626 Takeda-Shitaka M08 0.3173 0.6909 acceptable 14/ 42 0.4340 0.5965 9.7519 4.8876 6.2461 Shen M09 0.3172 0.6905 incorrect 7/ 42 0.4528 0.4894 10.1045 4.9407 6.0576 S.Zou M06 0.3171 0.6899 incorrect 10/ 42 0.5094 0.6301 11.3251 5.0320 6.1369 S.Venclovas M10 0.3169 0.6887 acceptable 21/ 42 0.4151 0.5600 9.4944 4.7475 6.1534 Zou M01 0.3168 0.6882 incorrect 10/ 42 0.5094 0.6301 11.3420 5.0357 6.1455 S.Venclovas M09 0.3168 0.6882 incorrect 10/ 42 0.5094 0.6301 11.3420 5.0357 6.1455 Seok M09 0.3167 0.6872 incorrect 1/ 42 0.4717 0.4898 10.4655 5.0553 6.5479 S.Grudinin M07 0.3152 0.6778 incorrect 6/ 42 0.4906 0.5938 10.8521 5.2729 6.9099 LZERD M08 0.3152 0.6774 incorrect 6/ 42 0.4906 0.5873 11.1611 4.8343 6.2348 Kihara M08 0.3152 0.6774 incorrect 6/ 42 0.4906 0.5873 11.1611 4.8343 6.2348 Guerois M06 0.3145 0.6730 acceptable 7/ 42 0.3962 0.5882 9.7294 4.1734 5.7073 Venclovas M06 0.3140 0.6700 incorrect 11/ 42 0.5094 0.5574 11.1211 5.7407 6.9864 S.Grudinin M02 0.3140 0.6699 incorrect 9/ 42 0.4528 0.6418 10.3257 4.9115 6.0070 S.Moal M04 0.3134 0.6661 incorrect 9/ 42 0.4528 0.6129 10.8038 4.3762 5.6200 S.Grudinin M05 0.3122 0.6581 incorrect 4/ 42 0.4340 0.5893 10.1142 4.8101 5.9474 HADDOCK M02 0.3121 0.6575 incorrect 6/ 42 0.4340 0.6230 10.5959 4.2514 5.7193 Guerois M05 0.3115 0.6540 incorrect 5/ 42 0.4528 0.5556 10.6278 4.7204 5.2923 Huang M08 0.3113 0.6522 incorrect 18/ 42 0.4340 0.4889 10.3677 4.5548 6.3920 Shen M05 0.3112 0.6520 acceptable 5/ 42 0.3962 0.6182 9.2605 5.0780 6.2274 S.Bonvin M10 0.3104 0.6467 incorrect 2/ 42 0.5294 0.4545 11.5946 6.3874 8.0889 Takeda-Shitaka M01 0.3085 0.6343 incorrect 24/ 42 0.4528 0.5789 10.6236 5.0066 6.9355 Zacharias M08 0.3050 0.6119 acceptable 3/ 42 0.4151 0.6857 9.9616 5.1340 6.3389 S.Grudinin M09 0.3038 0.6041 incorrect 5/ 42 0.4906 0.4902 11.7027 5.2501 6.8548 Venclovas M02 0.3031 0.5997 clashes,acceptable 58/ 42 0.3774 0.7619 9.1780 5.4556 6.7143 Venclovas M05 0.3016 0.5897 acceptable 17/ 42 0.3774 0.7531 9.2529 5.4809 6.9861 S.SWARMDOCK M08 0.2990 0.5733 incorrect 7/ 42 0.4717 0.4898 11.2884 5.7556 7.1310 S.Grudinin M04 0.2989 0.5727 incorrect 8/ 42 0.3962 0.6316 10.1335 4.8402 6.0253 Guerois M01 0.2983 0.5688 incorrect 8/ 42 0.3962 0.5714 10.1555 4.8625 6.2316 S.Bonvin M08 0.2981 0.5671 incorrect 6/ 42 0.5000 0.4516 11.8023 6.3583 8.0256 Takeda-Shitaka M09 0.2969 0.5595 incorrect 28/ 42 0.4528 0.5636 11.0312 5.6722 6.9984 Venclovas M07 0.2948 0.5458 incorrect 31/ 42 0.4340 0.6806 10.7747 5.6100 6.8144 HADDOCK M09 0.2922 0.5291 incorrect 5/ 42 0.4528 0.5102 11.3406 5.7343 6.9831 SWARMDOCK M07 0.2815 0.4599 incorrect 2/ 42 0.3673 0.6327 10.1776 5.6330 7.3128 Huang M06 0.2804 0.4532 acceptable 18/ 42 0.2830 0.6053 10.1928 3.5974 5.6836 SWARMDOCK M06 0.2792 0.4453 incorrect 5/ 42 0.3673 0.6000 10.3529 5.5679 7.2470 Shen M01 0.2776 0.4349 incorrect 5/ 42 0.3774 0.6000 11.0039 5.0298 6.3176 SWARMDOCK M10 0.2773 0.4333 clashes,acceptable 65/ 42 0.3396 0.6667 9.9119 5.5236 7.1464 Vakser M04 0.2751 0.4186 acceptable 2/ 42 0.2642 0.7143 9.3214 4.3333 5.8430 SWARMDOCK M04 0.2734 0.4077 incorrect 6/ 42 0.3469 0.6222 10.2563 5.6408 7.2456 SWARMDOCK M08 0.2704 0.3888 incorrect 5/ 42 0.3469 0.6136 10.4365 5.6588 7.2845 Huang M10 0.2676 0.3703 incorrect 11/ 42 0.3585 0.5128 11.5707 4.6641 6.4958 SWARMDOCK M09 0.2546 0.2868 incorrect 5/ 42 0.2857 0.7358 10.2114 5.5128 7.2426 Gray M03 0.2451 0.2252 incorrect 2/ 42 0.3208 0.3200 11.1728 6.6890 7.6931 SWARMDOCK M05 0.2384 0.1819 incorrect 5/ 42 0.3061 0.6875 11.7266 5.7072 7.4243 SWARMDOCK M03 0.2358 0.1653 incorrect 5/ 42 0.3061 0.7000 11.9331 5.7005 7.4309 S.Oliva M10 0.2351 0.1607 incorrect 1/ 42 0.2830 0.2500 10.9893 6.6840 7.7120 SWARMDOCK M01 0.2340 0.1539 incorrect 8/ 42 0.3061 0.7059 12.0384 5.7684 7.4244 Takeda-Shitaka M03 0.2330 0.1470 incorrect 12/ 42 0.0943 0.9167 8.0746 5.1229 8.0522 Takeda-Shitaka M10 0.2326 0.1444 incorrect 18/ 42 0.4528 0.6308 16.6416 7.5449 9.0773 SWARMDOCK M02 0.2259 0.1013 incorrect 5/ 42 0.2857 0.7083 12.1455 5.7733 7.3859 Chang M08 0.2228 0.0813 incorrect 3/ 42 0.0943 0.8485 8.7796 4.7627 6.3764 Vajda,Kozakov M08 0.2000 -0.0655 incorrect 10/ 42 0.2453 0.7045 12.7129 6.8402 8.2099 CLUSPRO M08 0.2000 -0.0655 incorrect 10/ 42 0.2453 0.7045 12.7129 6.8402 8.2099 S.Weng M06 0.1904 -0.1277 incorrect 8/ 42 0.3019 0.7193 16.4214 6.0446 7.1255 S.SWARMDOCK M03 0.1904 -0.1277 incorrect 12/ 42 0.3019 0.7419 16.4214 6.0446 7.2063 S.Huang M08 0.1904 -0.1277 incorrect 12/ 42 0.3019 0.7419 16.4215 6.0446 7.2063 Takeda-Shitaka M04 0.1818 -0.1831 incorrect 16/ 42 0.1698 0.8235 12.1079 6.8703 8.5592 S.Weng M04 0.1816 -0.1843 incorrect 34/ 42 0.2264 0.8310 13.9600 6.6789 7.5871 S.Huang M09 0.1816 -0.1843 incorrect 34/ 42 0.2264 0.8310 13.9600 6.6789 7.5871 Gray M06 0.1575 -0.3397 incorrect 1/ 42 0.1887 0.6970 15.4857 6.3785 7.7304 S.Weng M01 0.1554 -0.3534 incorrect 13/ 42 0.1132 0.9412 12.9328 6.4422 7.4100 S.Huang M06 0.1554 -0.3534 incorrect 13/ 42 0.1132 0.9417 12.9328 6.4422 7.4233 S.Chang M07 0.1554 -0.3534 incorrect 13/ 42 0.1132 0.9417 12.9328 6.4422 7.4233 S.Fernandez-Recio M08 0.1446 -0.4233 incorrect 1/ 42 0.1509 0.7419 15.3264 6.7052 7.1244 S.Venclovas M01 0.1440 -0.4269 incorrect 17/ 42 0.1509 0.7838 15.4430 6.6300 7.0443 Gray M05 0.1420 -0.4402 incorrect 3/ 42 0.1698 0.6786 16.5274 6.7583 8.0467 S.Venclovas M06 0.1386 -0.4619 incorrect 12/ 42 0.1321 0.7500 15.2924 6.7027 7.1121 Weng M05 0.1365 -0.4752 clashes,incorrect 53/ 42 0.2075 0.8571 19.1559 7.5853 7.6595 Chang M09 0.1332 -0.4967 incorrect 2/ 42 0.1698 0.7805 17.5949 7.2893 7.7526 S.Kihara M08 0.1295 -0.5205 incorrect 7/ 42 0.1321 0.8478 16.1968 7.2959 7.6552 Huang M03 0.1220 -0.5691 incorrect 11/ 42 0.1887 0.7826 20.4623 8.5117 9.4284 S.Venclovas M02 0.1146 -0.6170 incorrect 9/ 42 0.0943 0.8148 16.4260 7.5242 7.8101 S.LZERD M08 0.1068 -0.6670 incorrect 3/ 42 0.1887 0.8333 24.2257 9.9657 11.1225 Vajda,Kozakov M10 0.0934 -0.7533 incorrect 2/ 42 0.0943 0.8889 19.7884 8.4891 9.7093 CLUSPRO M10 0.0934 -0.7533 incorrect 2/ 42 0.0943 0.8889 19.7884 8.4891 9.7093 Huang M05 0.0846 -0.8107 incorrect 26/ 42 0.0566 0.9302 19.2152 8.0676 9.1517 Vajda,Kozakov M09 0.0838 -0.8156 incorrect 26/ 42 0.0755 0.8947 20.1578 9.3837 10.0248 CLUSPRO M09 0.0838 -0.8156 incorrect 26/ 42 0.0755 0.8947 20.1578 9.3837 10.0248 S.Seok M06 0.0790 -0.8465 incorrect 5/ 42 0.0943 0.8958 22.5610 10.9540 11.2622 Weng M02 0.0606 -0.9651 incorrect 30/ 42 0.0377 0.9608 22.4931 10.7147 11.1532 Vajda,Kozakov M02 0.0582 -0.9807 incorrect 4/ 42 0.0000 1.0000 20.3061 9.2679 10.3009 CLUSPRO M02 0.0582 -0.9807 incorrect 4/ 42 0.0000 1.0000 20.3061 9.2679 10.3009 Fernandez-Recio M07 0.0520 -1.0209 incorrect 0/ 42 0.0566 0.9318 28.2701 11.6065 11.4477 Vajda,Kozakov M06 0.0519 -1.0213 incorrect 2/ 42 0.0189 0.9643 23.5762 10.0467 10.8569 CLUSPRO M06 0.0519 -1.0213 incorrect 2/ 42 0.0189 0.9643 23.5762 10.0467 10.8569 Vajda,Kozakov M03 0.0497 -1.0354 incorrect 42/ 42 0.0377 0.9524 25.2849 14.9518 15.8947 CLUSPRO M03 0.0497 -1.0354 incorrect 42/ 42 0.0377 0.9524 25.2849 14.9518 15.8947 S.Moal M10 0.0496 -1.0364 incorrect 5/ 42 0.0000 1.0000 21.3639 13.5767 15.1630 S.Kihara M04 0.0489 -1.0405 incorrect 24/ 42 0.0755 0.9535 38.4299 9.4242 10.2610 S.Gray M06 0.0484 -1.0443 incorrect 5/ 42 0.0000 1.0000 22.1323 11.5761 12.4245 S.Vakser M06 0.0447 -1.0676 clashes,incorrect 101/ 42 0.0566 0.9605 31.6440 14.6805 15.6121 S.Moal M05 0.0436 -1.0751 incorrect 12/ 42 0.0377 0.9765 28.2322 14.9663 15.6716 S.Vakser M04 0.0436 -1.0751 clashes,incorrect 189/ 42 0.0377 0.9804 28.2474 14.9267 15.5861 S.Vakser M03 0.0426 -1.0814 clashes,incorrect 117/ 42 0.0377 0.9785 28.8862 14.6055 15.2656 S.Vakser M02 0.0418 -1.0865 clashes,incorrect 168/ 42 0.0377 0.9806 29.3976 14.4900 15.5085 S.Vakser M05 0.0410 -1.0915 clashes,incorrect 86/ 42 0.0377 0.9770 30.0768 13.9266 14.5821 Fernandez-Recio M06 0.0409 -1.0924 incorrect 8/ 42 0.0377 0.9737 30.1709 13.9384 14.6196 S.Vakser M07 0.0404 -1.0954 clashes,incorrect 82/ 42 0.0377 0.9753 30.5598 13.7139 14.3486 Weng M06 0.0397 -1.1002 clashes,incorrect 80/ 42 0.0000 1.0000 26.1064 9.7269 9.7261 S.Kihara M02 0.0397 -1.1004 incorrect 3/ 42 0.0000 1.0000 25.6083 10.5743 11.8037 S.Seok M04 0.0388 -1.1059 incorrect 3/ 42 0.0000 1.0000 25.5147 11.5624 12.6078 Ritchie M07 0.0385 -1.1081 incorrect 6/ 42 0.0377 0.9565 33.1427 11.7748 12.5572 Vajda,Kozakov M01 0.0379 -1.1117 incorrect 18/ 42 0.0000 1.0000 24.8275 15.9195 16.8126 CLUSPRO M01 0.0379 -1.1117 incorrect 18/ 42 0.0000 1.0000 24.8275 15.9195 16.8126 S.Gray M07 0.0373 -1.1158 incorrect 7/ 42 0.0189 0.9778 28.5123 14.0267 14.3442 Ritchie M06 0.0370 -1.1174 incorrect 9/ 42 0.0000 1.0000 27.1478 10.0465 10.8770 Fernandez-Recio M10 0.0369 -1.1180 incorrect 3/ 42 0.0189 0.9744 29.7762 11.5671 11.2432 Vajda,Kozakov M07 0.0369 -1.1185 incorrect 10/ 42 0.0000 1.0000 25.3956 15.0615 15.8125 CLUSPRO M07 0.0369 -1.1185 incorrect 10/ 42 0.0000 1.0000 25.3956 15.0615 15.8125 S.Vakser M10 0.0368 -1.1188 clashes,incorrect 133/ 42 0.0189 0.9882 28.4803 15.1167 15.7740 Fernandez-Recio M04 0.0365 -1.1206 incorrect 7/ 42 0.0000 1.0000 26.0818 12.7833 13.5698 Huang M01 0.0362 -1.1228 incorrect 30/ 42 0.0377 0.9600 33.3719 14.9480 15.6020 S.Weng M03 0.0361 -1.1235 incorrect 21/ 42 0.0000 1.0000 25.5834 15.8925 17.2488 S.Moal M06 0.0360 -1.1241 incorrect 12/ 42 0.0000 1.0000 26.4205 12.5050 13.2993 Huang M09 0.0358 -1.1253 incorrect 13/ 42 0.0377 0.9375 33.7561 14.8701 16.0409 S.Moal M08 0.0357 -1.1261 incorrect 6/ 42 0.0189 0.9828 29.2007 14.9039 15.5183 Fernandez-Recio M05 0.0355 -1.1271 incorrect 5/ 42 0.0189 0.9844 29.1922 15.2870 15.9478 S.Weng M07 0.0333 -1.1417 incorrect 13/ 42 0.0000 1.0000 27.1736 14.4572 15.6936 S.Gray M10 0.0332 -1.1421 incorrect 9/ 42 0.0189 0.9870 30.9212 14.6011 15.3542 Huang M07 0.0316 -1.1521 incorrect 30/ 42 0.0000 1.0000 27.8622 15.0884 16.0733 Grudinin M01 0.0314 -1.1535 incorrect 6/ 42 0.0000 1.0000 28.2430 14.0592 15.0925 S.Fernandez-Recio M03 0.0314 -1.1538 incorrect 1/ 42 0.0377 0.9333 38.1721 15.5425 15.7535 Fernandez-Recio M02 0.0314 -1.1538 incorrect 1/ 42 0.0377 0.9333 38.1721 15.5425 15.7535 Fernandez-Recio M09 0.0313 -1.1543 incorrect 6/ 42 0.0189 0.9800 32.4762 14.2757 14.6065 Weng M04 0.0309 -1.1572 clashes,incorrect 60/ 42 0.0000 1.0000 27.8569 17.3953 17.9727 S.Fernandez-Recio M09 0.0306 -1.1586 incorrect 4/ 42 0.0189 0.9818 32.8043 14.8359 15.1523 S.Gray M09 0.0306 -1.1590 incorrect 11/ 42 0.0000 1.0000 28.6444 14.3400 15.5099 Weng M09 0.0306 -1.1590 clashes,incorrect 54/ 42 0.0000 1.0000 28.1542 16.5030 17.2140 GRAMM-X M08 0.0305 -1.1595 incorrect 12/ 42 0.0189 0.9744 32.8255 15.1162 15.8583 S.Kihara M03 0.0303 -1.1606 incorrect 5/ 42 0.0000 1.0000 28.5038 15.4652 16.3322 Vajda,Kozakov M04 0.0298 -1.1639 incorrect 33/ 42 0.0000 1.0000 28.6021 16.3617 16.9157 CLUSPRO M04 0.0298 -1.1639 incorrect 33/ 42 0.0000 1.0000 28.6021 16.3617 16.9157 S.Gray M08 0.0296 -1.1656 incorrect 4/ 42 0.0000 1.0000 28.7314 16.4825 17.2808 Eisenstein M10 0.0289 -1.1698 incorrect 22/ 42 0.0000 1.0000 31.3175 11.0460 11.8608 Grudinin M07 0.0280 -1.1755 incorrect 3/ 42 0.0000 1.0000 29.8884 15.5119 16.0870 Moal M09 0.0279 -1.1765 incorrect 7/ 42 0.0000 1.0000 29.3280 19.1021 20.7267 S.Fernandez-Recio M05 0.0278 -1.1770 incorrect 4/ 42 0.0000 1.0000 29.9973 15.6791 16.3705 Grudinin M10 0.0278 -1.1770 incorrect 0/ 42 0.0000 1.0000 30.2003 14.9412 15.4538 Chang M02 0.0273 -1.1798 incorrect 4/ 42 0.0000 1.0000 31.6397 12.2664 13.6876 S.Seok M03 0.0264 -1.1860 incorrect 7/ 42 0.0000 1.0000 31.2196 14.7800 14.9289 S.LZERD M07 0.0252 -1.1937 incorrect 8/ 42 0.0000 1.0000 31.5684 16.6802 17.4918 S.Fernandez-Recio M07 0.0249 -1.1954 incorrect 3/ 42 0.0000 1.0000 32.8146 13.6451 14.0112 Grudinin M03 0.0249 -1.1956 incorrect 3/ 42 0.0000 1.0000 32.7049 13.9369 14.7245 GRAMM-X M10 0.0242 -1.2001 incorrect 9/ 42 0.0000 1.0000 33.2573 14.0255 14.8162 Fernandez-Recio M03 0.0238 -1.2029 incorrect 2/ 42 0.0189 0.9655 39.9151 15.6852 15.9003 Chang M04 0.0236 -1.2040 incorrect 5/ 42 0.0000 1.0000 33.2510 15.3481 15.9656 S.Fernandez-Recio M04 0.0233 -1.2057 incorrect 2/ 42 0.0189 0.9688 40.4286 15.9261 16.1422 S.Fernandez-Recio M06 0.0233 -1.2059 incorrect 3/ 42 0.0189 0.9756 40.7774 15.3845 15.6506 Fernandez-Recio M08 0.0233 -1.2059 incorrect 3/ 42 0.0189 0.9756 40.7774 15.3845 15.6506 S.Seok M09 0.0229 -1.2087 incorrect 5/ 42 0.0000 1.0000 33.4981 16.5465 16.6028 Chang M05 0.0228 -1.2090 incorrect 3/ 42 0.0000 1.0000 33.8589 15.5539 16.1417 Moal M06 0.0226 -1.2105 incorrect 7/ 42 0.0377 0.9683 51.6916 24.3525 25.8839 S.Weng M05 0.0224 -1.2115 incorrect 5/ 42 0.0000 1.0000 33.9217 16.4314 17.6420 S.Huang M02 0.0224 -1.2115 incorrect 5/ 42 0.0000 1.0000 33.9218 16.4314 17.6420 Chang M07 0.0217 -1.2166 incorrect 12/ 42 0.0000 1.0000 35.7693 13.9051 14.3549 Chang M06 0.0214 -1.2185 incorrect 2/ 42 0.0000 1.0000 35.3969 15.2518 16.2416 GRAMM-X M04 0.0211 -1.2201 incorrect 12/ 42 0.0000 1.0000 35.9362 14.6783 15.4212 Eisenstein M04 0.0201 -1.2266 clashes,incorrect 45/ 42 0.0000 1.0000 35.6840 18.3634 19.5420 S.Huang M01 0.0194 -1.2309 incorrect 28/ 42 0.0000 1.0000 35.9583 20.3649 21.3580 GRAMM-X M02 0.0193 -1.2316 incorrect 16/ 42 0.0000 1.0000 36.3802 18.9503 20.0372 Eisenstein M05 0.0191 -1.2332 incorrect 36/ 42 0.0000 1.0000 36.8828 18.1436 19.1476 Weng M07 0.0184 -1.2374 clashes,incorrect 74/ 42 0.0000 1.0000 37.5911 18.3086 19.4167 S.Kihara M09 0.0179 -1.2410 incorrect 0/ 42 0.0000 nan 37.0818 24.5820 26.2246 Eisenstein M09 0.0178 -1.2414 incorrect 16/ 42 0.0000 1.0000 38.2089 18.9087 20.0685 Moal M08 0.0172 -1.2456 incorrect 27/ 42 0.0000 1.0000 38.4462 21.3774 22.2082 S.LZERD M03 0.0171 -1.2459 incorrect 4/ 42 0.0000 1.0000 40.4527 15.6973 15.8012 Ritchie M02 0.0167 -1.2488 incorrect 8/ 42 0.0000 1.0000 39.5018 19.7439 20.0688 S.Venclovas M08 0.0166 -1.2493 incorrect 10/ 42 0.0000 1.0000 40.9161 16.2970 16.0841 Moal M07 0.0151 -1.2590 clashes,incorrect 49/ 42 0.0189 0.9836 57.7737 20.8244 21.0730 Grudinin M09 0.0149 -1.2603 incorrect 9/ 42 0.0000 1.0000 42.4173 19.2735 20.8592 Ritchie M09 0.0146 -1.2622 incorrect 7/ 42 0.0000 1.0000 44.8104 15.7131 15.9909 Eisenstein M06 0.0142 -1.2647 incorrect 33/ 42 0.0000 1.0000 43.1567 20.6171 21.6976 S.Weng M02 0.0133 -1.2706 incorrect 18/ 42 0.0000 1.0000 46.3201 17.5121 19.2336 GRAMM-X M03 0.0132 -1.2711 incorrect 5/ 42 0.0000 1.0000 47.3501 16.2993 16.3707 S.Moal M02 0.0132 -1.2712 incorrect 36/ 42 0.0000 1.0000 46.4810 17.5696 19.2202 S.LZERD M09 0.0129 -1.2732 incorrect 1/ 42 0.0000 1.0000 47.8829 16.5843 16.8885 S.LZERD M02 0.0129 -1.2733 incorrect 11/ 42 0.0000 1.0000 46.2090 19.5577 21.0533 S.Seok M07 0.0124 -1.2765 incorrect 9/ 42 0.0000 1.0000 46.7337 20.9787 22.2489 Ritchie M04 0.0124 -1.2765 incorrect 10/ 42 0.0000 1.0000 48.4194 17.6043 18.7251 Moal M05 0.0124 -1.2766 incorrect 10/ 42 0.0000 1.0000 47.6588 18.9523 20.3569 S.LZERD M06 0.0121 -1.2780 incorrect 15/ 42 0.0000 1.0000 47.6810 19.9626 21.2496 GRAMM-X M05 0.0121 -1.2784 incorrect 15/ 42 0.0000 1.0000 47.5384 20.6735 21.8148 S.Chang M01 0.0120 -1.2789 incorrect 11/ 42 0.0000 1.0000 48.4341 19.1016 20.5270 Weng M10 0.0119 -1.2793 clashes,incorrect 57/ 42 0.0000 1.0000 48.2643 19.7844 20.1994 S.Moal M01 0.0119 -1.2795 incorrect 15/ 42 0.0000 1.0000 48.6856 19.0753 20.4831 S.Weng M10 0.0119 -1.2798 incorrect 13/ 42 0.0000 1.0000 48.3019 20.0788 21.3205 Moal M02 0.0119 -1.2798 incorrect 12/ 42 0.0000 1.0000 48.3019 20.0788 21.3230 Grudinin M06 0.0117 -1.2807 incorrect 3/ 42 0.0000 1.0000 48.4403 20.5700 21.9411 S.Kihara M06 0.0117 -1.2809 incorrect 5/ 42 0.0000 1.0000 48.5326 20.5758 21.8781 Grudinin M05 0.0116 -1.2816 incorrect 9/ 42 0.0000 1.0000 49.4916 19.1442 20.3247 S.Vakser M09 0.0113 -1.2833 clashes,incorrect 59/ 42 0.0000 1.0000 50.0760 19.3649 20.4596 Eisenstein M08 0.0112 -1.2842 incorrect 30/ 42 0.0000 1.0000 51.2495 18.1874 18.6252 S.Huang M03 0.0111 -1.2847 incorrect 38/ 42 0.0000 1.0000 49.2059 22.8138 24.4565 S.Vakser M01 0.0109 -1.2858 clashes,incorrect 112/ 42 0.0000 1.0000 50.6304 20.3757 21.5146 Chang M01 0.0109 -1.2858 incorrect 7/ 42 0.0000 1.0000 51.1600 19.4248 20.3951 GRAMM-X M01 0.0109 -1.2861 incorrect 5/ 42 0.0000 1.0000 57.7498 13.9433 14.3650 S.Moal M09 0.0109 -1.2862 incorrect 13/ 42 0.0000 1.0000 51.2598 19.5993 20.7648 S.Vakser M08 0.0108 -1.2864 clashes,incorrect 93/ 42 0.0000 1.0000 51.2682 19.7344 20.8481 Grudinin M08 0.0107 -1.2870 incorrect 0/ 42 0.0000 1.0000 52.0664 18.8964 19.9391 Gray M09 0.0104 -1.2892 incorrect 0/ 42 0.0000 1.0000 52.0061 20.7372 22.0703 Moal M10 0.0103 -1.2895 incorrect 6/ 42 0.0000 1.0000 49.1990 32.9833 33.6421 Eisenstein M07 0.0100 -1.2917 incorrect 16/ 42 0.0000 1.0000 54.4491 18.9088 19.0455 GRAMM-X M09 0.0098 -1.2930 incorrect 15/ 42 0.0000 1.0000 54.9711 19.1298 20.9994 S.Kihara M07 0.0098 -1.2931 incorrect 5/ 42 0.0000 1.0000 55.6513 18.4177 18.2380 S.Kihara M05 0.0097 -1.2936 incorrect 3/ 42 0.0000 1.0000 53.4779 22.3003 23.6200 S.Seok M08 0.0097 -1.2937 incorrect 17/ 42 0.0000 1.0000 56.3945 18.0115 17.9118 Ritchie M08 0.0097 -1.2939 incorrect 6/ 42 0.0000 1.0000 54.9761 19.8638 20.7298 Weng M03 0.0096 -1.2943 clashes,incorrect 88/ 42 0.0000 1.0000 55.5519 19.3859 20.6478 S.Seok M10 0.0096 -1.2944 incorrect 11/ 42 0.0000 1.0000 54.8593 20.4610 21.7563 Grudinin M04 0.0095 -1.2947 incorrect 7/ 42 0.0000 1.0000 57.6481 17.4263 18.6728 Moal M04 0.0095 -1.2948 incorrect 11/ 42 0.0000 1.0000 54.9554 20.6243 21.1878 Ritchie M01 0.0095 -1.2948 incorrect 8/ 42 0.0000 1.0000 55.3541 20.0142 20.9450 Gray M10 0.0095 -1.2949 incorrect 2/ 42 0.0000 1.0000 55.7470 19.5460 20.8932 Chang M10 0.0095 -1.2949 incorrect 6/ 42 0.0000 1.0000 55.6951 19.6790 20.9097 GRAMM-X M07 0.0093 -1.2966 incorrect 8/ 42 0.0000 1.0000 55.6443 21.2070 22.2854 Eisenstein M02 0.0092 -1.2968 incorrect 19/ 42 0.0000 1.0000 56.8770 19.5557 20.9741 Moal M01 0.0092 -1.2969 incorrect 12/ 42 0.0000 1.0000 56.1964 20.6492 20.9596 Moal M03 0.0091 -1.2977 incorrect 16/ 42 0.0000 1.0000 56.3713 21.0943 21.4135 S.LZERD M10 0.0089 -1.2992 incorrect 11/ 42 0.0000 1.0000 57.5904 20.6509 21.6551 S.Kihara M10 0.0088 -1.2992 incorrect 5/ 42 0.0000 1.0000 57.9336 20.2350 21.5182 S.Seok M05 0.0088 -1.2993 incorrect 10/ 42 0.0000 1.0000 57.7216 20.5506 21.7886 Chang M03 0.0088 -1.2997 incorrect 4/ 42 0.0000 1.0000 60.5020 17.8897 18.8305 Weng M08 0.0086 -1.3006 clashes,incorrect 72/ 42 0.0000 1.0000 58.2477 21.0716 22.4991 S.LZERD M05 0.0086 -1.3007 incorrect 9/ 42 0.0000 1.0000 58.2597 21.0869 22.4394 S.Seok M01 0.0086 -1.3010 incorrect 14/ 42 0.0000 1.0000 58.4499 21.1801 22.7344 S.Kihara M01 0.0076 -1.3070 incorrect 7/ 42 0.0000 1.0000 62.6809 21.4157 22.9067 Ritchie M10 0.0074 -1.3083 incorrect 4/ 42 0.0000 1.0000 62.7597 22.8118 24.0922 Ritchie M05 0.0074 -1.3086 incorrect 7/ 42 0.0000 1.0000 63.0610 22.7126 23.2037 GRAMM-X M06 0.0073 -1.3090 incorrect 12/ 42 0.0000 1.0000 63.3495 22.8038 23.9821 S.Weng M09 0.0062 -1.3161 incorrect 9/ 42 0.0000 1.0000 68.8367 24.6064 26.1484 S.Huang M04 0.0027 -1.3391 incorrect 23/ 42 0.0000 1.0000 99.5883 53.1591 52.3610

Target: T113.1

Group Model DockQ Zscore Classification nclash fnat fnonnat lrmsd irmsdbb irmsdsc Grudinin M02 0.3397 4.9901 acceptable 7/ 46 0.1558 0.6923 6.1085 2.9635 5.1382 S.Grudinin M09 0.2948 4.1542 acceptable 8/ 46 0.2667 0.7895 8.8607 3.7419 5.8585 Vajda,Kozakov M02 0.2882 4.0320 acceptable 16/ 46 0.1169 0.8548 7.0263 3.5196 5.6055 CLUSPRO M02 0.2882 4.0320 acceptable 16/ 46 0.1169 0.8548 7.0263 3.5196 5.6055 Zou M02 0.2826 3.9268 acceptable 10/ 46 0.2667 0.8000 9.2572 3.9947 6.0325 S.Zou M07 0.2820 3.9170 acceptable 10/ 46 0.2667 0.8000 9.2764 4.0048 6.0335 Kihara M03 0.2732 3.7533 acceptable 4/ 46 0.1039 0.7714 7.3327 3.6795 5.8365 S.LZERD M07 0.2643 3.5866 incorrect 5/ 46 0.0779 0.8286 7.3427 3.6827 5.8837 Chang M01 0.2564 3.4389 acceptable 8/ 46 0.1039 0.8333 7.3193 4.7429 6.7873 Kihara M06 0.2472 3.2678 incorrect 6/ 46 0.0909 0.7879 8.1193 3.9211 6.0047 Zou M08 0.2386 3.1090 incorrect 7/ 46 0.2222 0.7872 10.9447 4.1123 5.5756 S.Venclovas M02 0.2386 3.1090 incorrect 7/ 46 0.2222 0.7872 10.9447 4.1123 5.5756 S.Venclovas M05 0.2381 3.0996 incorrect 5/ 46 0.0779 0.8378 7.9375 4.4447 6.4300 S.LZERD M03 0.2153 2.6754 incorrect 5/ 46 0.0649 0.8936 9.2351 4.0164 5.8305 S.LZERD M08 0.1888 2.1813 incorrect 5/ 46 0.0260 0.9487 9.4852 4.6330 6.5384 S.Oliva M06 0.1828 2.0702 incorrect 4/ 46 0.0649 0.8387 10.4752 4.8769 6.8306 Kihara M10 0.1775 1.9719 incorrect 0/ 46 0.0649 0.8148 10.8747 4.8186 6.4531 Chang M09 0.1761 1.9467 incorrect 10/ 46 0.1039 0.8333 11.4862 5.4393 6.9582 Seok M07 0.1719 1.8679 incorrect 7/ 46 0.1111 0.8704 11.4931 6.4676 7.6923 Huang M04 0.1702 1.8363 incorrect 22/ 46 0.0779 0.8868 11.1144 5.7510 7.6332 Kihara M07 0.1687 1.8085 incorrect 11/ 46 0.0519 0.9111 10.6860 5.6103 7.3305 Huang M10 0.1668 1.7720 incorrect 29/ 46 0.0909 0.8889 11.4557 6.2606 7.8166 Vakser M02 0.1645 1.7300 clashes,incorrect 72/ 46 0.1688 0.8673 13.4983 7.2783 9.0189 Chang M08 0.1613 1.6709 incorrect 4/ 46 0.0909 0.8478 12.4458 5.2683 7.0116 HADDOCK M09 0.1605 1.6555 incorrect 10/ 46 0.0909 0.9231 11.6976 6.9081 8.2915 S.Venclovas M10 0.1580 1.6099 incorrect 0/ 46 0.0649 0.8649 11.9066 5.4001 7.0422 S.Zou M02 0.1575 1.6006 incorrect 12/ 46 0.1591 0.8906 13.9528 7.0886 8.4658 S.Fernandez-Recio M03 0.1571 1.5920 incorrect 6/ 46 0.1591 0.8889 13.9925 7.1116 8.4687 Huang M07 0.1535 1.5259 incorrect 22/ 46 0.0519 0.9231 11.6492 5.8726 7.9462 S.SWARMDOCK M02 0.1496 1.4531 incorrect 10/ 46 0.1364 0.8966 13.9844 7.1064 8.4498 HADDOCK M01 0.1496 1.4531 incorrect 10/ 46 0.1364 0.8966 13.9844 7.1064 8.4498 S.Bonvin M01 0.1478 1.4192 incorrect 8/ 46 0.1364 0.8909 14.1801 7.1075 8.4493 GRAMM-X M02 0.1449 1.3646 incorrect 12/ 46 0.0519 0.9298 12.0180 6.5917 8.5623 S.Moal M04 0.1440 1.3487 incorrect 10/ 46 0.0682 0.9524 12.4659 6.7982 8.3034 HADDOCK M10 0.1439 1.3474 incorrect 8/ 46 0.0682 0.9388 12.5073 6.7051 8.2120 S.Vakser M06 0.1423 1.3171 clashes,incorrect 52/ 46 0.1556 0.8511 15.4848 7.3717 8.8364 S.Bonvin M09 0.1414 1.3007 incorrect 7/ 46 0.1591 0.8293 16.1849 6.6104 7.8322 S.Venclovas M03 0.1411 1.2950 incorrect 6/ 46 0.0909 0.7742 13.4640 6.7192 8.1282 S.Bonvin M07 0.1404 1.2813 incorrect 6/ 46 0.1364 0.8966 14.7958 7.6961 9.0034 S.Grudinin M04 0.1401 1.2769 incorrect 3/ 46 0.0909 0.8409 12.9768 8.6353 10.8662 Vakser M10 0.1388 1.2521 incorrect 23/ 46 0.1299 0.8701 14.8948 7.2662 9.0000 S.Bonvin M02 0.1382 1.2413 incorrect 7/ 46 0.1364 0.8889 15.2536 7.2232 8.6128 HADDOCK M05 0.1366 1.2117 incorrect 7/ 46 0.0682 0.9483 13.0584 6.9835 8.6273 S.Chang M09 0.1366 1.2116 incorrect 7/ 46 0.0682 0.9483 13.0585 6.9835 8.6273 Vakser M04 0.1346 1.1736 incorrect 19/ 46 0.1039 0.9012 14.4418 7.1131 8.9204 Vakser M08 0.1314 1.1148 incorrect 6/ 46 0.0779 0.8750 13.4907 8.2205 9.8813 Guerois M01 0.1262 1.0176 incorrect 9/ 46 0.0649 0.9123 14.4922 6.0581 7.2751 S.Zou M08 0.1262 1.0167 incorrect 13/ 46 0.1556 0.8833 16.8592 10.4490 12.2577 Vakser M06 0.1249 0.9939 incorrect 22/ 46 0.0649 0.9383 13.6451 8.4812 10.1718 Zou M01 0.1246 0.9882 incorrect 14/ 46 0.0667 0.9483 13.7669 8.3608 10.1101 S.Zou M06 0.1246 0.9882 incorrect 15/ 46 0.0667 0.9508 13.7678 8.3585 10.1098 Vakser M09 0.1245 0.9861 incorrect 3/ 46 0.1299 0.8000 16.3118 8.5174 9.8246 Zou M09 0.1235 0.9671 incorrect 18/ 46 0.1333 0.8723 16.7946 8.0874 9.9497 S.Chang M07 0.1235 0.9671 incorrect 18/ 46 0.1333 0.8723 16.7946 8.0874 9.9497 S.Oliva M03 0.1214 0.9276 incorrect 6/ 46 0.0455 0.9565 13.7393 7.1816 8.5894 Zou M07 0.1188 0.8801 incorrect 14/ 46 0.1333 0.9000 16.8463 10.4430 12.2605 S.Fernandez-Recio M07 0.1185 0.8748 incorrect 5/ 46 0.0455 0.9608 14.0316 7.1962 8.8743 S.Grudinin M08 0.1185 0.8748 incorrect 1/ 46 0.0455 0.9623 14.0602 7.1254 8.9682 HADDOCK M04 0.1184 0.8731 incorrect 5/ 46 0.0909 0.9184 15.7276 7.5102 8.8358 S.Bonvin M03 0.1170 0.8473 incorrect 3/ 46 0.0455 0.9643 14.1105 7.4074 8.9898 S.Seok M05 0.1159 0.8263 incorrect 5/ 46 0.0390 0.9400 14.5395 6.2751 8.2019 GRAMM-X M03 0.1156 0.8196 incorrect 22/ 46 0.0260 0.9677 13.5972 7.3767 9.2706 S.Bonvin M05 0.1152 0.8134 incorrect 6/ 46 0.0909 0.9149 16.1739 7.5098 8.8361 Guerois M06 0.1148 0.8053 incorrect 12/ 46 0.0779 0.9091 15.6374 7.5053 9.5454 S.Vakser M09 0.1145 0.8000 incorrect 42/ 46 0.1333 0.8750 18.5969 7.6082 9.2359 HADDOCK M08 0.1144 0.7977 incorrect 5/ 46 0.0455 0.9636 14.3871 7.4540 8.8141 HADDOCK M06 0.1123 0.7594 incorrect 2/ 46 0.0909 0.9130 16.4803 7.7664 9.0899 Grudinin M05 0.1122 0.7578 incorrect 2/ 46 0.0260 0.9412 14.1697 6.8231 7.9629 Vajda,Kozakov M07 0.1102 0.7203 incorrect 18/ 46 0.0260 0.9733 13.8869 8.2334 9.5180 CLUSPRO M07 0.1102 0.7203 incorrect 18/ 46 0.0260 0.9733 13.8869 8.2334 9.5180 Vakser M07 0.1089 0.6964 incorrect 27/ 46 0.1169 0.8636 17.7336 9.7555 10.7579 Huang M02 0.1057 0.6367 incorrect 11/ 46 0.0260 0.9672 14.3298 8.3978 9.7381 Fernandez-Fuentes M05 0.1055 0.6324 incorrect 30/ 46 0.0260 0.9747 14.3852 8.2895 9.5828 S.Moal M10 0.1051 0.6249 incorrect 19/ 46 0.1136 0.9057 18.4637 9.0348 10.1843 Ritchie M03 0.1044 0.6120 incorrect 16/ 46 0.0779 0.8983 16.3792 9.7460 11.5081 S.Zou M05 0.1043 0.6098 incorrect 13/ 46 0.0682 0.9483 16.2594 8.5255 9.7306 S.Huang M10 0.1038 0.6009 incorrect 11/ 46 0.0667 0.9639 15.8902 9.9458 11.6578 S.Seok M03 0.1037 0.5998 incorrect 9/ 46 0.0260 0.9706 14.6621 8.0324 9.2979 S.Vakser M03 0.1030 0.5861 clashes,incorrect 52/ 46 0.0390 0.9508 15.4910 7.4838 9.1350 S.Oliva M10 0.1023 0.5735 incorrect 8/ 46 0.0519 0.8974 15.7745 8.5170 10.4257 Fernandez-Fuentes M01 0.1022 0.5713 incorrect 41/ 46 0.0130 0.9870 14.3557 7.9874 9.2950 S.Vakser M10 0.1020 0.5681 clashes,incorrect 47/ 46 0.0889 0.9111 17.8307 8.2417 9.9868 Ritchie M10 0.1019 0.5651 incorrect 16/ 46 0.0130 0.9839 14.4938 7.6811 9.3054 S.Venclovas M07 0.1013 0.5535 incorrect 3/ 46 0.0519 0.8621 16.3821 7.3704 8.9803 S.Kihara M02 0.1011 0.5514 incorrect 15/ 46 0.0260 0.9714 15.2004 7.4235 8.7863 Ritchie M06 0.0989 0.5090 incorrect 13/ 46 0.0260 0.9661 15.1155 8.4773 10.3581 Kihara M09 0.0988 0.5081 incorrect 7/ 46 0.0260 0.9524 15.3815 7.7052 9.2780 Huang M09 0.0974 0.4819 incorrect 19/ 46 0.0779 0.8868 17.3006 10.5331 12.5712 S.SWARMDOCK M07 0.0971 0.4758 incorrect 8/ 46 0.0455 0.9643 16.2150 8.5023 9.7283 HADDOCK M02 0.0968 0.4706 incorrect 8/ 46 0.0455 0.9661 16.2416 8.5420 9.8073 Zou M03 0.0960 0.4558 incorrect 12/ 46 0.0444 0.9730 15.9351 9.9726 11.6897 S.Chang M04 0.0960 0.4558 incorrect 12/ 46 0.0444 0.9730 15.9351 9.9726 11.6897 S.Zou M01 0.0960 0.4554 incorrect 13/ 46 0.0444 0.9726 15.9378 9.9761 11.6936 Guerois M04 0.0959 0.4533 incorrect 9/ 46 0.0909 0.8772 19.4889 7.6638 8.8097 S.Bonvin M04 0.0955 0.4462 incorrect 7/ 46 0.0455 0.9661 16.4337 8.5410 9.8080 Zou M05 0.0953 0.4434 incorrect 11/ 46 0.0444 0.9706 15.9998 10.1151 11.7879 S.Zou M03 0.0953 0.4433 incorrect 11/ 46 0.0444 0.9714 16.0011 10.1128 11.7944 S.Oliva M08 0.0952 0.4415 incorrect 5/ 46 0.0000 1.0000 14.4137 8.8900 10.4923 S.LZERD M09 0.0949 0.4343 incorrect 9/ 46 0.0260 0.9512 15.6714 8.3513 10.2405 S.Seok M07 0.0946 0.4303 incorrect 13/ 46 0.0519 0.9344 16.5076 9.8999 12.1081 Vajda,Kozakov M10 0.0939 0.4163 incorrect 45/ 46 0.0519 0.9412 16.5330 10.3188 11.9040 CLUSPRO M10 0.0939 0.4163 incorrect 45/ 46 0.0519 0.9412 16.5330 10.3188 11.9040 Grudinin M01 0.0932 0.4033 incorrect 4/ 46 0.0130 0.9825 16.0975 6.6422 8.5035 Fernandez-Fuentes M03 0.0931 0.4013 incorrect 44/ 46 0.0000 1.0000 14.8165 8.3017 9.7130 Zou M04 0.0923 0.3866 incorrect 10/ 46 0.0000 1.0000 14.8408 8.5495 10.0926 S.Venclovas M08 0.0923 0.3866 incorrect 10/ 46 0.0000 1.0000 14.8408 8.5495 10.0926 S.Zou M04 0.0923 0.3865 incorrect 10/ 46 0.0000 1.0000 14.8409 8.5515 10.0907 S.Grudinin M10 0.0921 0.3836 incorrect 5/ 46 0.0130 0.9811 16.2364 6.6609 8.5346 Chang M03 0.0920 0.3818 incorrect 11/ 46 0.0519 0.9091 16.7494 10.6652 12.3151 S.Weng M07 0.0918 0.3777 incorrect 23/ 46 0.0260 0.9714 15.2121 13.9059 15.0408 DelCarpio M05 0.0918 0.3777 incorrect 23/ 46 0.0260 0.9714 15.2121 13.9059 15.0408 Vajda,Kozakov M04 0.0910 0.3618 incorrect 28/ 46 0.0519 0.9286 17.0419 10.0594 11.7217 CLUSPRO M04 0.0910 0.3618 incorrect 28/ 46 0.0519 0.9286 17.0419 10.0594 11.7217 S.Seok M01 0.0901 0.3467 incorrect 10/ 46 0.0444 0.9524 18.2028 6.7536 8.4310 Kihara M08 0.0890 0.3259 incorrect 1/ 46 0.0000 1.0000 15.7921 7.1240 8.5917 Shen M01 0.0885 0.3168 incorrect 4/ 46 0.0390 0.9545 16.6750 10.4050 12.1176 HADDOCK M07 0.0878 0.3037 incorrect 8/ 46 0.0909 0.9333 20.3068 9.6650 11.4532 Seok M02 0.0869 0.2866 incorrect 4/ 46 0.0476 0.9531 17.4441 10.1764 12.1142 Ritchie M04 0.0863 0.2753 incorrect 13/ 46 0.0260 0.9636 16.5112 9.6847 11.3841 Gray M01 0.0863 0.2743 incorrect 4/ 46 0.0649 0.8864 18.3332 11.4299 13.4411 GRAMM-X M04 0.0860 0.2694 incorrect 20/ 46 0.0909 0.8750 20.9703 9.1893 11.0432 S.Vakser M04 0.0852 0.2539 clashes,incorrect 76/ 46 0.1111 0.8980 22.4958 10.6536 12.3639 Gray M05 0.0850 0.2509 incorrect 1/ 46 0.0000 1.0000 15.4700 9.7542 11.2903 Shen M08 0.0850 0.2501 incorrect 4/ 46 0.0390 0.9444 17.2907 10.1847 11.9306 Huang M03 0.0836 0.2255 incorrect 23/ 46 0.0519 0.9216 18.1234 10.8715 12.4097 Guerois M02 0.0834 0.2211 incorrect 11/ 46 0.0649 0.9107 19.3155 9.7655 11.2067 S.Vakser M07 0.0833 0.2189 clashes,incorrect 47/ 46 0.0444 0.9615 17.7899 10.6184 12.5827 Guerois M05 0.0832 0.2169 incorrect 4/ 46 0.0260 0.9512 16.9271 9.9736 12.2962 HADDOCK M03 0.0823 0.2013 incorrect 5/ 46 0.0227 0.9756 17.1892 8.8691 10.1655 Gray M03 0.0822 0.1994 incorrect 5/ 46 0.0519 0.9048 18.5197 10.2950 11.5482 Vakser M05 0.0816 0.1869 incorrect 27/ 46 0.0260 0.9701 17.0668 10.5219 12.4613 S.Gray M04 0.0814 0.1846 incorrect 6/ 46 0.0649 0.8810 19.2299 11.7841 13.6527 Vajda,Kozakov M03 0.0811 0.1782 incorrect 7/ 46 0.0649 0.8936 19.4676 11.0006 12.5594 CLUSPRO M03 0.0811 0.1782 incorrect 7/ 46 0.0649 0.8936 19.4676 11.0006 12.5594 GRAMM-X M01 0.0809 0.1746 incorrect 11/ 46 0.0000 1.0000 16.0883 9.4734 11.4644 Seok M06 0.0804 0.1649 incorrect 4/ 46 0.0000 1.0000 16.1649 9.4629 11.0983 S.Gray M06 0.0793 0.1445 incorrect 7/ 46 0.0649 0.8611 19.6668 11.9422 13.8782 Huang M01 0.0789 0.1376 incorrect 17/ 46 0.0260 0.9608 18.1617 8.3812 10.2818 Gray M07 0.0786 0.1316 incorrect 4/ 46 0.0519 0.9111 19.2842 10.1990 11.5774 Guerois M08 0.0785 0.1293 incorrect 12/ 46 0.0649 0.9153 19.9829 11.3159 13.0489 S.Vakser M01 0.0777 0.1157 incorrect 17/ 46 0.0390 0.9492 19.4439 8.0266 9.5368 S.Gray M03 0.0772 0.1066 incorrect 3/ 46 0.0649 0.8485 20.1547 11.8366 13.8522 Fernandez-Fuentes M04 0.0764 0.0915 incorrect 46/ 46 0.0260 0.9655 19.1287 7.5076 9.1978 S.Seok M04 0.0763 0.0887 incorrect 10/ 46 0.0444 0.9643 19.2050 10.3351 12.1505 Ritchie M01 0.0754 0.0732 incorrect 12/ 46 0.0260 0.9677 18.0658 10.7533 12.1313 S.Oliva M07 0.0751 0.0674 incorrect 9/ 46 0.0000 1.0000 16.7240 10.4711 12.2808 S.Vakser M05 0.0751 0.0660 incorrect 19/ 46 0.0519 0.9200 19.8184 11.1117 12.6426 S.Oliva M02 0.0749 0.0638 incorrect 4/ 46 0.0260 0.9310 18.9302 8.3832 10.0394 S.Venclovas M06 0.0739 0.0451 incorrect 2/ 46 0.0519 0.8710 20.2337 10.5259 11.7612 Venclovas M01 0.0735 0.0369 incorrect 4/ 46 0.0649 0.9153 21.2783 11.0919 12.6108 S.Huang M06 0.0731 0.0288 incorrect 31/ 46 0.0779 0.9211 22.0818 13.4886 15.3979 S.Gray M08 0.0728 0.0242 incorrect 4/ 46 0.0519 0.8788 20.1540 11.9481 13.9747 Gray M09 0.0722 0.0126 incorrect 3/ 46 0.0390 0.9268 19.6938 10.3603 11.7982 S.Kihara M08 0.0719 0.0072 incorrect 8/ 46 0.0222 0.9783 18.6024 10.3006 12.0363 Ritchie M09 0.0718 0.0052 incorrect 14/ 46 0.0000 1.0000 17.2716 10.3959 12.0478 S.SWARMDOCK M09 0.0711 -0.0078 incorrect 6/ 46 0.0682 0.9189 23.1045 9.2076 10.3633 Grudinin M03 0.0705 -0.0179 incorrect 4/ 46 0.0000 1.0000 17.4825 10.3828 12.2094 S.Vakser M02 0.0705 -0.0182 incorrect 13/ 46 0.0390 0.9492 20.0036 10.5973 12.0170 S.Chang M06 0.0705 -0.0182 incorrect 13/ 46 0.0390 0.9492 20.0036 10.5973 12.0170 Moal M02 0.0705 -0.0182 incorrect 13/ 46 0.0390 0.9492 20.0036 10.5973 12.0170 Vakser M01 0.0700 -0.0277 incorrect 11/ 46 0.0519 0.9452 20.6860 12.7205 14.5062 S.Huang M09 0.0700 -0.0290 incorrect 19/ 46 0.0390 0.9538 20.1326 10.6185 12.0462 S.Moal M08 0.0695 -0.0374 incorrect 26/ 46 0.0649 0.9351 21.8623 13.4475 15.3547 Fernandez-Fuentes M02 0.0695 -0.0378 incorrect 43/ 46 0.0000 1.0000 17.8004 9.8304 11.5695 Gray M10 0.0692 -0.0433 incorrect 1/ 46 0.0130 0.9750 18.2739 11.5225 13.4694 Guerois M10 0.0683 -0.0590 incorrect 9/ 46 0.0519 0.9167 22.0159 9.6908 11.8463 S.Gray M07 0.0680 -0.0661 incorrect 2/ 46 0.0260 0.9167 20.3343 8.6612 10.4240 Venclovas M03 0.0678 -0.0698 incorrect 18/ 46 0.0390 0.9286 20.6973 10.5114 12.3901 Vakser M03 0.0676 -0.0736 incorrect 10/ 46 0.0390 0.9455 20.4622 11.5796 12.9911 S.Chang M08 0.0673 -0.0787 incorrect 14/ 46 0.0130 0.9821 19.3211 9.0605 10.6018 Zou M10 0.0671 -0.0820 incorrect 18/ 46 0.0000 1.0000 18.4132 9.2468 10.8046 S.Zou M10 0.0670 -0.0831 incorrect 18/ 46 0.0000 1.0000 18.4238 9.2477 10.8041 Shen M07 0.0668 -0.0872 incorrect 5/ 46 0.0130 0.9815 18.7939 11.1913 12.7506 Moal M01 0.0667 -0.0896 incorrect 13/ 46 0.0390 0.9508 20.7278 11.3650 12.8255 Huang M08 0.0663 -0.0976 incorrect 19/ 46 0.0519 0.9091 22.1173 11.0187 12.9779 S.Gray M09 0.0662 -0.0982 incorrect 9/ 46 0.0260 0.9600 19.9617 10.7214 12.2815 GRAMM-X M07 0.0659 -0.1039 incorrect 22/ 46 0.0519 0.9355 22.1451 11.2496 13.3676 Chang M05 0.0656 -0.1091 incorrect 10/ 46 0.0519 0.9216 22.1538 11.5060 13.1206 Gray M06 0.0654 -0.1130 incorrect 4/ 46 0.0390 0.9167 21.1998 10.8338 11.9564 Vajda,Kozakov M08 0.0648 -0.1242 incorrect 33/ 46 0.0000 1.0000 18.8590 9.2441 10.5220 CLUSPRO M08 0.0648 -0.1242 incorrect 33/ 46 0.0000 1.0000 18.8590 9.2441 10.5220 Chang M02 0.0647 -0.1271 incorrect 7/ 46 0.0130 0.9783 19.3835 10.5663 12.2737 S.LZERD M02 0.0645 -0.1313 incorrect 10/ 46 0.0390 0.9286 21.4369 10.9284 12.9652 Takeda-Shitaka M09 0.0643 -0.1337 incorrect 0/ 46 0.0000 nan 18.4938 10.9057 12.3609 Grudinin M04 0.0643 -0.1347 incorrect 4/ 46 0.0130 0.9815 19.5196 10.3929 12.2381 Gray M08 0.0634 -0.1518 incorrect 4/ 46 0.0260 0.9487 20.3878 11.7711 13.0140 Vajda,Kozakov M05 0.0633 -0.1527 incorrect 30/ 46 0.0260 0.9615 20.4384 11.5971 13.1179 CLUSPRO M05 0.0633 -0.1527 incorrect 30/ 46 0.0260 0.9615 20.4384 11.5971 13.1179 Guerois M09 0.0630 -0.1582 incorrect 11/ 46 0.0130 0.9811 19.6479 10.9633 12.8570 S.Kihara M10 0.0628 -0.1619 incorrect 8/ 46 0.0130 0.9773 19.6228 11.2603 13.9934 S.Moal M05 0.0628 -0.1623 incorrect 20/ 46 0.0000 1.0000 18.3905 13.4212 14.8359 S.Huang M03 0.0627 -0.1648 incorrect 31/ 46 0.0130 0.9912 19.0777 15.4659 16.6148 S.Weng M02 0.0626 -0.1651 incorrect 29/ 46 0.0130 0.9909 19.0801 15.4696 16.6236 DelCarpio M10 0.0626 -0.1651 incorrect 29/ 46 0.0130 0.9909 19.0801 15.4696 16.6236 S.Chang M10 0.0618 -0.1799 incorrect 13/ 46 0.0390 0.9464 22.2738 10.6623 11.9347 S.Weng M05 0.0614 -0.1874 incorrect 17/ 46 0.0130 0.9889 19.4420 14.3289 15.7574 DelCarpio M06 0.0614 -0.1874 incorrect 17/ 46 0.0130 0.9889 19.4420 14.3289 15.7574 S.Kihara M05 0.0611 -0.1942 incorrect 17/ 46 0.0519 0.9512 23.1215 13.4675 15.0435 S.Moal M06 0.0608 -0.1997 incorrect 22/ 46 0.0000 1.0000 19.1183 11.3134 12.8923 S.SWARMDOCK M06 0.0608 -0.2001 incorrect 10/ 46 0.0000 1.0000 19.3192 10.4773 12.5519 Huang M06 0.0604 -0.2068 incorrect 23/ 46 0.0130 0.9762 20.3813 10.4943 11.9880 Kihara M05 0.0603 -0.2082 incorrect 8/ 46 0.0260 0.9545 21.3862 10.9126 12.8675 Vajda,Kozakov M01 0.0602 -0.2111 incorrect 30/ 46 0.0130 0.9818 21.1503 8.7681 10.1900 CLUSPRO M01 0.0602 -0.2111 incorrect 30/ 46 0.0130 0.9818 21.1503 8.7681 10.1900 S.Grudinin M07 0.0600 -0.2148 incorrect 11/ 46 0.0130 0.9863 19.7637 14.3561 15.9289 Grudinin M07 0.0599 -0.2157 incorrect 6/ 46 0.0000 1.0000 19.2684 11.4589 13.5936 S.Huang M02 0.0597 -0.2191 incorrect 13/ 46 0.0000 1.0000 18.9255 14.0092 15.9164 Shen M09 0.0595 -0.2240 incorrect 3/ 46 0.0130 0.9818 21.2908 8.8486 10.2306 S.Seok M08 0.0589 -0.2338 incorrect 8/ 46 0.0222 0.9744 20.9940 12.6846 14.4415 S.SWARMDOCK M10 0.0588 -0.2371 incorrect 17/ 46 0.0000 1.0000 19.4368 11.8548 13.1833 S.Fernandez-Recio M04 0.0586 -0.2402 incorrect 14/ 46 0.0000 1.0000 19.4619 11.9118 13.2408 Moal M08 0.0585 -0.2423 incorrect 15/ 46 0.0000 1.0000 19.5982 11.3596 12.9338 Grudinin M06 0.0583 -0.2460 incorrect 2/ 46 0.0000 1.0000 20.5260 8.7624 10.4419 Gray M02 0.0582 -0.2468 incorrect 5/ 46 0.0000 1.0000 19.6751 11.2557 12.4047 Kihara M02 0.0578 -0.2553 incorrect 6/ 46 0.0260 0.9565 21.8357 11.8483 13.3864 S.LZERD M01 0.0577 -0.2562 incorrect 2/ 46 0.0260 0.9556 21.8482 11.8549 13.4115 Seok M01 0.0577 -0.2569 incorrect 7/ 46 0.0000 1.0000 19.5673 12.4278 14.1244 S.Oliva M01 0.0573 -0.2635 incorrect 3/ 46 0.0130 0.9545 20.9059 11.3455 12.8392 S.Weng M01 0.0570 -0.2705 incorrect 32/ 46 0.0260 0.9821 21.5659 14.5929 15.6129 DelCarpio M07 0.0570 -0.2705 incorrect 32/ 46 0.0260 0.9821 21.5659 14.5929 15.6129 S.Huang M01 0.0570 -0.2706 incorrect 29/ 46 0.0260 0.9818 21.5674 14.5908 15.6097 S.Grudinin M01 0.0567 -0.2751 incorrect 13/ 46 0.0000 1.0000 19.4085 15.5361 16.7050 Zacharias M04 0.0562 -0.2843 incorrect 1/ 46 0.0130 0.9744 20.6994 13.9692 16.1296 Grudinin M09 0.0561 -0.2875 incorrect 0/ 46 0.0260 0.9487 22.6052 10.9893 13.1361 S.Venclovas M09 0.0559 -0.2899 incorrect 3/ 46 0.0130 0.9697 21.1340 11.9357 13.5054 Seok M08 0.0559 -0.2905 incorrect 3/ 46 0.0000 1.0000 20.1992 11.3243 13.3344 Ritchie M02 0.0557 -0.2950 incorrect 13/ 46 0.0260 0.9744 23.0321 10.2190 11.9852 S.Gray M05 0.0554 -0.2999 incorrect 6/ 46 0.0260 0.9355 22.8664 10.8454 12.1055 Ritchie M08 0.0554 -0.3004 incorrect 13/ 46 0.0130 0.9836 21.8822 10.0058 11.7205 S.Venclovas M04 0.0548 -0.3107 incorrect 8/ 46 0.0260 0.9375 22.6830 12.0325 13.6266 Kihara M01 0.0548 -0.3107 incorrect 3/ 46 0.0260 0.9310 22.6827 12.0339 13.7867 S.LZERD M04 0.0547 -0.3124 incorrect 5/ 46 0.0260 0.9375 22.7086 12.0444 13.8825 S.Kihara M01 0.0544 -0.3184 incorrect 5/ 46 0.0000 1.0000 20.4399 11.8547 13.7348 S.Weng M06 0.0542 -0.3221 incorrect 16/ 46 0.0000 1.0000 20.0718 14.5454 15.6781 DelCarpio M04 0.0542 -0.3221 incorrect 16/ 46 0.0000 1.0000 20.0719 14.5454 15.6781 S.Zou M09 0.0538 -0.3288 incorrect 19/ 46 0.0260 0.9623 22.8828 12.4681 14.1877 S.Moal M01 0.0535 -0.3354 incorrect 10/ 46 0.0000 1.0000 20.2812 14.1927 15.7436 S.Venclovas M01 0.0535 -0.3355 incorrect 2/ 46 0.0130 0.9796 21.8290 11.8490 13.4861 S.Chang M05 0.0534 -0.3365 incorrect 10/ 46 0.0000 1.0000 20.2990 14.1665 15.6933 Guerois M03 0.0534 -0.3375 incorrect 13/ 46 0.0000 1.0000 20.7848 11.4682 13.2169 Seok M03 0.0531 -0.3422 incorrect 6/ 46 0.0476 0.9474 25.8144 12.6169 14.4064 Zacharias M03 0.0531 -0.3433 incorrect 6/ 46 0.0130 0.9787 21.5221 14.0682 15.2150 S.Grudinin M02 0.0519 -0.3649 incorrect 16/ 46 0.0130 0.9903 21.7732 14.6074 15.7063 GRAMM-X M06 0.0517 -0.3693 incorrect 18/ 46 0.0130 0.9787 22.2079 12.4943 13.9797 S.Oliva M04 0.0514 -0.3741 incorrect 4/ 46 0.0390 0.9189 25.3962 12.3800 13.9000 Vajda,Kozakov M09 0.0512 -0.3774 incorrect 26/ 46 0.0390 0.9464 25.5838 12.0480 13.3282 CLUSPRO M09 0.0512 -0.3774 incorrect 26/ 46 0.0390 0.9464 25.5838 12.0480 13.3282 Takeda-Shitaka M07 0.0511 -0.3795 incorrect 0/ 46 0.0130 0.9286 22.2686 12.9828 14.5329 Grudinin M08 0.0511 -0.3796 incorrect 4/ 46 0.0000 1.0000 21.3763 11.4767 13.7286 Shen M10 0.0506 -0.3890 incorrect 4/ 46 0.0000 1.0000 22.2827 9.4126 10.7519 S.Seok M02 0.0505 -0.3905 incorrect 7/ 46 0.0222 0.9783 23.9685 11.1894 12.8727 S.Gray M10 0.0501 -0.3987 incorrect 10/ 46 0.0390 0.9143 25.9085 12.5595 14.2387 Takeda-Shitaka M04 0.0500 -0.3994 clashes,incorrect 53/ 46 0.0260 0.9630 24.7123 10.9743 12.8231 Huang M05 0.0500 -0.4006 incorrect 35/ 46 0.0000 1.0000 21.6094 11.7824 13.2897 S.Huang M04 0.0499 -0.4026 incorrect 23/ 46 0.0390 0.9571 25.8973 12.8911 14.9901 LZERD M07 0.0497 -0.4065 incorrect 3/ 46 0.0519 0.9130 28.8650 11.3080 13.2640 S.Chang M01 0.0493 -0.4127 incorrect 22/ 46 0.0390 0.9552 26.1284 12.9314 15.0202 S.Weng M03 0.0493 -0.4132 incorrect 23/ 46 0.0000 1.0000 21.3704 14.0214 15.2333 DelCarpio M02 0.0493 -0.4132 incorrect 23/ 46 0.0000 1.0000 21.3704 14.0214 15.2333 S.Huang M05 0.0490 -0.4180 incorrect 25/ 46 0.0000 1.0000 21.4398 14.0284 15.2376 S.Grudinin M06 0.0489 -0.4203 incorrect 14/ 46 0.0000 1.0000 21.4696 14.0564 15.2537 LZERD M10 0.0486 -0.4270 incorrect 3/ 46 0.0000 1.0000 22.7405 9.7558 11.5402 Seok M04 0.0484 -0.4293 incorrect 9/ 46 0.0317 0.9636 26.0138 11.3567 12.7877 Chang M07 0.0484 -0.4306 incorrect 9/ 46 0.0260 0.9583 24.7632 12.7276 14.0001 Takeda-Shitaka M01 0.0477 -0.4426 incorrect 3/ 46 0.0000 1.0000 22.3976 11.3184 13.7333 Takeda-Shitaka M02 0.0471 -0.4550 incorrect 3/ 46 0.0000 1.0000 22.7140 10.9779 13.2134 Gray M04 0.0470 -0.4551 incorrect 7/ 46 0.0130 0.9744 24.2761 10.7968 12.3062 Shen M03 0.0469 -0.4569 incorrect 4/ 46 0.0260 0.9615 25.5590 12.0486 13.4474 Iwadate M03 0.0469 -0.4582 clashes,incorrect 208/ 46 0.0909 0.9079 40.7787 16.6014 18.3557 Guerois M07 0.0466 -0.4634 incorrect 12/ 46 0.0130 0.9825 24.9869 9.7571 11.3875 S.Huang M07 0.0463 -0.4684 incorrect 25/ 46 0.0130 0.9848 23.6748 13.7153 15.6731 S.Fernandez-Recio M02 0.0459 -0.4765 incorrect 14/ 46 0.0130 0.9839 23.8145 13.7871 15.7716 Zacharias M08 0.0456 -0.4819 incorrect 0/ 46 0.0130 0.9750 23.7106 14.9641 15.9229 Kihara M04 0.0455 -0.4842 incorrect 6/ 46 0.0130 0.9744 24.4309 11.9673 13.5626 S.LZERD M05 0.0454 -0.4849 incorrect 2/ 46 0.0130 0.9730 24.4434 11.9692 13.5860 S.Gray M01 0.0448 -0.4971 incorrect 10/ 46 0.0000 1.0000 23.0664 12.2322 13.9957 Ritchie M05 0.0447 -0.4982 incorrect 12/ 46 0.0000 1.0000 23.7472 10.3362 12.0975 S.Seok M06 0.0445 -0.5029 incorrect 9/ 46 0.0130 0.9750 24.7362 12.2276 13.8930 Vajda,Kozakov M06 0.0442 -0.5074 incorrect 22/ 46 0.0130 0.9818 24.7979 12.3343 13.7395 CLUSPRO M06 0.0442 -0.5074 incorrect 22/ 46 0.0130 0.9818 24.7979 12.3343 13.7395 Shen M05 0.0438 -0.5157 incorrect 8/ 46 0.0130 0.9787 24.9583 12.3897 13.8754 S.Vakser M08 0.0437 -0.5172 incorrect 17/ 46 0.0000 1.0000 23.5896 11.6815 13.2813 S.SWARMDOCK M04 0.0437 -0.5172 incorrect 17/ 46 0.0000 1.0000 23.5896 11.6815 13.2813 Takeda-Shitaka M03 0.0432 -0.5259 incorrect 38/ 46 0.0130 0.9787 25.6281 11.1961 12.9822 S.Moal M09 0.0426 -0.5375 incorrect 10/ 46 0.0694 0.9091 38.9723 13.0435 13.9867 S.Fernandez-Recio M06 0.0426 -0.5384 incorrect 1/ 46 0.0000 1.0000 23.9681 11.7627 13.0329 S.Gray M02 0.0423 -0.5436 incorrect 14/ 46 0.0130 0.9821 25.9947 11.3106 12.9242 S.Grudinin M05 0.0421 -0.5470 incorrect 1/ 46 0.0260 0.9556 27.4808 13.0646 14.6729 S.Weng M09 0.0421 -0.5471 incorrect 4/ 46 0.0260 0.9524 27.5354 12.9159 14.5372 LZERD M06 0.0416 -0.5557 incorrect 10/ 46 0.0390 0.9388 30.8433 12.0180 13.9208 S.Kihara M04 0.0403 -0.5799 incorrect 20/ 46 0.0130 0.9901 26.1141 13.4866 14.6447 Zacharias M06 0.0402 -0.5829 incorrect 4/ 46 0.0390 0.9362 30.4768 15.4298 16.9358 S.Bonvin M06 0.0397 -0.5915 incorrect 5/ 46 0.0000 1.0000 25.0128 11.9067 13.1317 Takeda-Shitaka M08 0.0394 -0.5981 incorrect 1/ 46 0.0000 1.0000 24.5994 13.9513 15.5001 S.Fernandez-Recio M01 0.0392 -0.6004 incorrect 11/ 46 0.0260 0.9714 28.9526 13.4071 15.1267 S.Kihara M09 0.0389 -0.6063 incorrect 30/ 46 0.0260 0.9683 29.0100 13.7874 15.5491 LZERD M05 0.0386 -0.6125 incorrect 6/ 46 0.0000 1.0000 25.2700 12.5312 14.2821 Weng M09 0.0372 -0.6387 incorrect 17/ 46 0.0260 0.9535 30.2682 13.3674 15.0828 LZERD M01 0.0370 -0.6415 incorrect 5/ 46 0.0260 0.9600 31.0229 12.0516 13.8722 Fernandez-Fuentes M09 0.0364 -0.6524 incorrect 35/ 46 0.0130 0.9825 30.5740 9.4484 11.1384 Chang M06 0.0359 -0.6627 incorrect 8/ 46 0.0000 1.0000 26.0573 13.9065 15.4496 Takeda-Shitaka M10 0.0359 -0.6633 incorrect 2/ 46 0.0000 1.0000 26.0750 13.8993 15.5638 Wallner M02 0.0353 -0.6731 incorrect 0/ 46 0.0390 0.7692 34.2257 15.8349 16.8253 GRAMM-X M05 0.0350 -0.6786 incorrect 9/ 46 0.0390 0.9318 36.1640 12.7006 14.1870 Moal M06 0.0339 -0.6998 incorrect 6/ 46 0.0390 0.9412 37.8718 12.2661 13.8034 S.SWARMDOCK M08 0.0338 -0.7018 clashes,incorrect 47/ 46 0.0000 1.0000 28.2044 11.0453 12.8092 Zacharias M01 0.0337 -0.7035 incorrect 1/ 46 0.0000 1.0000 26.9355 14.5464 16.4592 Ritchie M07 0.0330 -0.7165 incorrect 15/ 46 0.0000 1.0000 28.0256 12.2551 14.0347 LZERD M03 0.0320 -0.7351 incorrect 7/ 46 0.0000 1.0000 28.3121 12.9161 14.7411 S.Chang M02 0.0315 -0.7437 incorrect 16/ 46 0.0130 0.9875 30.6961 14.6388 16.1482 S.Seok M10 0.0311 -0.7519 incorrect 6/ 46 0.0000 1.0000 29.0478 12.4009 14.0957 Wallner M05 0.0302 -0.7686 incorrect 4/ 46 0.0130 0.9500 31.5151 15.0904 16.1694 SWARMDOCK M08 0.0299 -0.7740 incorrect 7/ 46 0.0390 0.9444 40.6715 15.8535 17.1355 Chang M10 0.0294 -0.7833 incorrect 7/ 46 0.0130 0.9828 33.4332 12.3609 13.8673 S.Fernandez-Recio M05 0.0289 -0.7918 incorrect 17/ 46 0.0130 0.9853 32.9647 13.9036 15.5495 Venclovas M02 0.0288 -0.7952 incorrect 8/ 46 0.0000 1.0000 29.7228 14.4174 15.7647 Wallner M04 0.0285 -0.7996 incorrect 2/ 46 0.0130 0.9231 32.9179 14.8555 15.9781 Weng M04 0.0282 -0.8052 incorrect 9/ 46 0.0000 1.0000 30.3742 13.5708 15.1673 S.Huang M08 0.0282 -0.8066 incorrect 21/ 46 0.0000 1.0000 30.9225 12.4929 14.3948 S.Chang M03 0.0277 -0.8157 incorrect 11/ 46 0.0000 1.0000 31.2537 12.5328 14.4339 S.Fernandez-Recio M08 0.0275 -0.8187 incorrect 8/ 46 0.0000 1.0000 31.3468 12.5803 14.4723 Wallner M03 0.0272 -0.8240 incorrect 1/ 46 0.0000 1.0000 30.7415 14.4649 15.5319 Zacharias M10 0.0272 -0.8247 incorrect 3/ 46 0.0000 1.0000 31.9489 11.9786 13.4187 S.Weng M10 0.0272 -0.8248 incorrect 18/ 46 0.0000 1.0000 30.2699 16.2546 17.3775 DelCarpio M09 0.0272 -0.8248 incorrect 18/ 46 0.0000 1.0000 30.2699 16.2546 17.3775 S.SWARMDOCK M01 0.0272 -0.8251 incorrect 26/ 46 0.0130 0.9846 34.7551 13.5853 15.2527 Moal M10 0.0272 -0.8251 incorrect 26/ 46 0.0130 0.9846 34.7551 13.5853 15.2527 Moal M03 0.0268 -0.8309 incorrect 18/ 46 0.0260 0.9623 40.1956 13.7648 14.9772 Zacharias M05 0.0267 -0.8328 incorrect 1/ 46 0.0130 0.9787 34.2211 15.6187 16.8359 DelCarpio M01 0.0265 -0.8366 incorrect 7/ 46 0.0000 1.0000 30.5325 17.0241 18.0026 S.Moal M07 0.0265 -0.8373 incorrect 15/ 46 0.0278 0.9649 40.6071 15.1291 17.0712 S.Fernandez-Recio M09 0.0259 -0.8493 incorrect 9/ 46 0.0000 1.0000 33.6472 11.2104 13.2197 Zacharias M07 0.0255 -0.8568 incorrect 1/ 46 0.0000 1.0000 32.6480 13.1261 14.9468 S.Kihara M07 0.0251 -0.8629 incorrect 8/ 46 0.0000 1.0000 32.6678 13.6203 14.9365 S.Kihara M03 0.0248 -0.8688 incorrect 9/ 46 0.0000 1.0000 33.6774 12.3444 14.0413 Shen M04 0.0248 -0.8695 incorrect 3/ 46 0.0000 1.0000 33.3393 12.9220 14.3167 S.Grudinin M03 0.0245 -0.8752 incorrect 9/ 46 0.0260 0.9714 42.1852 16.3105 17.3606 Grudinin M10 0.0244 -0.8770 incorrect 4/ 46 0.0000 1.0000 33.8265 12.7184 14.7473 S.Oliva M09 0.0243 -0.8775 incorrect 27/ 46 0.0000 1.0000 34.2526 12.1454 13.7598 Zacharias M09 0.0242 -0.8796 incorrect 0/ 46 0.0130 0.9600 37.4418 14.4366 15.6666 S.Moal M02 0.0241 -0.8817 incorrect 18/ 46 0.0130 0.9828 37.4727 14.6151 16.1271 Fernandez-Recio M05 0.0241 -0.8824 incorrect 2/ 46 0.0000 1.0000 34.1817 12.5884 14.1728 Moal M09 0.0237 -0.8892 incorrect 14/ 46 0.0130 0.9821 37.8883 14.7546 16.3072 SWARMDOCK M01 0.0236 -0.8911 incorrect 9/ 46 0.0000 1.0000 34.1093 13.4049 15.1598 Seok M10 0.0235 -0.8929 incorrect 3/ 46 0.0000 1.0000 33.9358 13.8977 15.4248 Moal M05 0.0235 -0.8939 incorrect 25/ 46 0.0000 1.0000 33.2149 15.8033 17.0665 Fernandez-Recio M07 0.0232 -0.8980 incorrect 8/ 46 0.0000 1.0000 34.3429 13.6097 15.7669 S.Moal M03 0.0232 -0.8981 incorrect 14/ 46 0.0130 0.9818 38.5286 14.7015 16.4616 Moal M07 0.0231 -0.9005 incorrect 15/ 46 0.0000 1.0000 34.6848 13.2426 15.3291 S.SWARMDOCK M05 0.0225 -0.9119 incorrect 38/ 46 0.0000 1.0000 34.7960 14.1093 15.7139 Fernandez-Fuentes M08 0.0220 -0.9213 incorrect 43/ 46 0.0000 1.0000 37.5711 11.3094 13.4890 LZERD M09 0.0217 -0.9262 incorrect 4/ 46 0.0000 1.0000 36.2109 13.0940 15.0409 Zacharias M02 0.0216 -0.9278 incorrect 0/ 46 0.0000 1.0000 35.7491 13.9611 15.6119 Shen M06 0.0215 -0.9304 incorrect 3/ 46 0.0000 1.0000 36.4787 13.0650 14.4750 GRAMM-X M09 0.0210 -0.9402 incorrect 23/ 46 0.0000 1.0000 36.1020 14.6368 16.7812 Wallner M06 0.0209 -0.9408 incorrect 1/ 46 0.0000 1.0000 35.4060 16.3660 17.3896 Fernandez-Recio M08 0.0208 -0.9436 incorrect 4/ 46 0.0000 1.0000 37.1079 13.3186 14.9953 Fernandez-Fuentes M07 0.0207 -0.9454 incorrect 36/ 46 0.0000 1.0000 36.7452 14.0328 15.4572 S.Weng M04 0.0206 -0.9476 incorrect 22/ 46 0.0130 0.9889 41.5515 16.1349 17.2851 DelCarpio M08 0.0206 -0.9476 incorrect 22/ 46 0.0130 0.9889 41.5515 16.1349 17.2851 Moal M04 0.0206 -0.9478 incorrect 13/ 46 0.0000 1.0000 36.7878 14.2074 15.4320 SWARMDOCK M10 0.0203 -0.9528 incorrect 11/ 46 0.0000 1.0000 36.8257 14.7002 16.0255 SWARMDOCK M06 0.0203 -0.9528 incorrect 11/ 46 0.0000 1.0000 36.8257 14.7002 16.0255 SWARMDOCK M09 0.0203 -0.9533 incorrect 10/ 46 0.0000 1.0000 36.8615 14.6888 16.0118 Seok M05 0.0202 -0.9540 incorrect 5/ 46 0.0000 1.0000 38.2322 12.7781 14.4602 SWARMDOCK M07 0.0202 -0.9548 incorrect 10/ 46 0.0000 1.0000 36.9354 14.7267 16.0553 S.Kihara M06 0.0201 -0.9563 incorrect 10/ 46 0.0000 1.0000 37.5170 13.9092 15.5845 SWARMDOCK M05 0.0200 -0.9589 incorrect 12/ 46 0.0000 1.0000 37.2492 14.6216 16.2261 S.Fernandez-Recio M10 0.0199 -0.9596 incorrect 7/ 46 0.0000 1.0000 37.1511 14.8914 16.6117 Fernandez-Fuentes M10 0.0198 -0.9614 incorrect 22/ 46 0.0000 1.0000 39.0397 12.4810 14.5268 SWARMDOCK M03 0.0196 -0.9654 incorrect 4/ 46 0.0000 1.0000 36.9854 16.0138 17.1671 Fernandez-Fuentes M06 0.0193 -0.9704 incorrect 42/ 46 0.0000 1.0000 38.3963 14.0129 15.8881 S.Bonvin M10 0.0191 -0.9750 incorrect 6/ 46 0.0000 1.0000 38.4974 14.3420 16.4169 Seok M09 0.0191 -0.9753 incorrect 7/ 46 0.0000 1.0000 38.5204 14.3374 16.4239 S.Oliva M05 0.0191 -0.9756 incorrect 6/ 46 0.0000 1.0000 38.6328 14.1910 16.1937 GRAMM-X M10 0.0190 -0.9766 incorrect 23/ 46 0.0000 1.0000 38.3350 14.7788 16.6195 Fernandez-Recio M06 0.0189 -0.9780 incorrect 3/ 46 0.0000 1.0000 38.6661 14.4059 16.3329 Fernandez-Recio M03 0.0189 -0.9782 incorrect 5/ 46 0.0000 1.0000 38.8271 14.1817 16.2372 Fernandez-Recio M02 0.0188 -0.9816 incorrect 4/ 46 0.0000 1.0000 38.9280 14.3914 16.2824 S.Seok M09 0.0185 -0.9871 incorrect 14/ 46 0.0000 1.0000 39.8927 13.6487 15.3988 S.LZERD M06 0.0184 -0.9874 incorrect 3/ 46 0.0000 1.0000 40.0307 13.5164 15.1853 Fernandez-Recio M01 0.0183 -0.9905 incorrect 1/ 46 0.0000 1.0000 39.3414 14.7629 16.7830 LZERD M02 0.0181 -0.9935 incorrect 6/ 46 0.0000 1.0000 39.2200 15.3494 17.3656 Fernandez-Recio M09 0.0181 -0.9935 incorrect 0/ 46 0.0000 1.0000 39.8613 14.3372 15.9952 Fernandez-Recio M10 0.0180 -0.9953 incorrect 8/ 46 0.0000 1.0000 40.1793 14.0949 15.2726 S.Bonvin M08 0.0180 -0.9953 incorrect 18/ 46 0.0000 1.0000 40.1183 14.1779 15.2747 Shen M02 0.0180 -0.9961 incorrect 8/ 46 0.0000 1.0000 39.7266 14.8303 16.7398 S.LZERD M10 0.0179 -0.9972 incorrect 7/ 46 0.0000 1.0000 39.1340 16.0365 17.6427 SWARMDOCK M02 0.0179 -0.9982 incorrect 4/ 46 0.0000 1.0000 38.9602 16.5649 17.6579 GRAMM-X M08 0.0178 -0.9997 incorrect 17/ 46 0.0000 1.0000 39.5311 15.6181 17.7272 Fernandez-Recio M04 0.0177 -1.0006 incorrect 0/ 46 0.0000 1.0000 41.0309 13.5872 15.9197 Iwadate M01 0.0177 -1.0012 incorrect 0/ 46 0.0000 nan 37.6934 21.8565 22.7991 Takeda-Shitaka M05 0.0177 -1.0017 incorrect 7/ 46 0.0000 1.0000 40.1405 14.8519 15.9833 S.SWARMDOCK M03 0.0176 -1.0028 incorrect 26/ 46 0.0000 1.0000 40.5226 14.4394 16.1776 SWARMDOCK M04 0.0172 -1.0107 incorrect 10/ 46 0.0000 1.0000 40.7497 15.0266 16.3929 Chang M04 0.0169 -1.0161 incorrect 7/ 46 0.0000 1.0000 40.6504 15.9246 17.5301 LZERD M04 0.0167 -1.0191 incorrect 4/ 46 0.0000 1.0000 41.5452 14.9102 17.0413 LZERD M08 0.0167 -1.0204 incorrect 6/ 46 0.0000 1.0000 41.6573 14.9115 17.0470 Iwadate M02 0.0167 -1.0204 incorrect 0/ 46 0.0000 nan 39.3114 20.5079 22.1171 Zou M06 0.0166 -1.0209 incorrect 11/ 46 0.0000 1.0000 41.7594 14.8326 16.6320 Weng M07 0.0163 -1.0275 incorrect 16/ 46 0.0000 1.0000 41.7884 15.6436 17.7926 Takeda-Shitaka M06 0.0163 -1.0279 incorrect 2/ 46 0.0000 1.0000 42.3443 14.8858 16.2606 Weng M08 0.0161 -1.0301 incorrect 8/ 46 0.0000 1.0000 42.1047 15.5153 17.7113 Weng M05 0.0160 -1.0334 incorrect 33/ 46 0.0000 1.0000 42.1938 15.8282 17.9572 Weng M06 0.0159 -1.0346 incorrect 19/ 46 0.0000 1.0000 42.3585 15.7468 17.9571 Weng M02 0.0159 -1.0350 incorrect 28/ 46 0.0000 1.0000 42.4260 15.6945 17.9783 Weng M01 0.0151 -1.0496 incorrect 12/ 46 0.0000 1.0000 43.6355 15.9944 18.1212 Weng M10 0.0150 -1.0511 incorrect 9/ 46 0.0000 1.0000 43.7529 16.0406 18.1570 S.Weng M08 0.0149 -1.0534 incorrect 18/ 46 0.0000 1.0000 43.5985 16.6537 17.4675 DelCarpio M03 0.0149 -1.0534 incorrect 18/ 46 0.0000 1.0000 43.5985 16.6537 17.4675 Weng M03 0.0144 -1.0620 incorrect 19/ 46 0.0000 1.0000 44.7465 16.2426 18.3900 Wallner M01 0.0134 -1.0808 incorrect 3/ 46 0.0000 1.0000 46.3533 17.0039 18.8216 Iwadate M05 0.0037 -1.2622 incorrect 0/ 46 0.0000 nan 85.6151 42.4300 43.4704 Iwadate M04 0.0028 -1.2790 incorrect 0/ 46 0.0000 nan 99.2926 46.9117 47.8538

Target: T114.1

Group Model DockQ Zscore Classification nclash fnat fnonnat lrmsd irmsdbb irmsdsc Takeda-Shitaka M08 0.1774 6.4266 incorrect 65/ 72 0.1084 0.9494 10.6333 8.0107 11.0371 Zou M03 0.1296 4.3048 incorrect 0/ 72 0.3529 0.6364 56.6028 12.6499 13.5146 S.Venclovas M09 0.1296 4.3048 incorrect 0/ 72 0.3529 0.6364 56.6028 12.6499 13.5146 Takeda-Shitaka M05 0.1272 4.2001 incorrect 60/ 72 0.0120 0.9931 12.0523 7.5916 9.9646 S.Seok M08 0.1241 4.0600 incorrect 2/ 72 0.0000 1.0000 12.0062 7.5059 8.8747 S.SWARMDOCK M07 0.1199 3.8717 incorrect 8/ 72 0.0241 0.9765 14.0952 5.5192 7.0183 Weng M08 0.1187 3.8194 incorrect 18/ 72 0.0000 1.0000 12.4382 7.5793 8.5949 Weng M06 0.1119 3.5205 incorrect 30/ 72 0.0000 1.0000 14.2233 5.3579 6.8638 S.Bonvin M02 0.1084 3.3622 incorrect 7/ 72 0.0294 0.9853 15.2357 6.0245 7.2679 S.Bonvin M01 0.1082 3.3541 incorrect 7/ 72 0.0294 0.9828 15.3029 5.9680 7.1822 Eisenstein M03 0.1076 3.3264 incorrect 12/ 72 0.0120 0.9851 15.7140 4.9417 6.0293 HADDOCK M05 0.1061 3.2628 incorrect 8/ 72 0.0294 0.9836 15.3398 6.2714 7.5949 Takeda-Shitaka M09 0.1059 3.2517 clashes,incorrect 101/ 72 0.0120 0.9945 14.0480 7.5796 9.7745 Zou M09 0.1021 3.0849 incorrect 6/ 72 0.2647 0.5909 57.5289 10.4084 12.0030 Vakser M07 0.0965 2.8325 incorrect 4/ 72 0.2651 0.6615 68.6067 15.6143 15.8779 S.Moal M06 0.0936 2.7075 incorrect 8/ 72 0.0241 0.9744 16.4928 6.7581 7.2387 Eisenstein M02 0.0917 2.6201 incorrect 7/ 72 0.0482 0.9298 21.7020 4.6620 6.8993 Zacharias M10 0.0865 2.3912 incorrect 0/ 72 0.0000 1.0000 15.3797 9.2596 9.8055 S.Oliva M03 0.0856 2.3503 incorrect 3/ 72 0.0294 0.9756 18.3462 6.4932 7.8024 S.SWARMDOCK M02 0.0806 2.1303 incorrect 3/ 72 0.0294 0.9831 19.3426 6.4925 7.6931 HADDOCK M01 0.0806 2.1303 incorrect 3/ 72 0.0294 0.9831 19.3426 6.4925 7.6931 HADDOCK M02 0.0805 2.1259 incorrect 3/ 72 0.0294 0.9828 19.3447 6.5107 7.6895 S.Oliva M06 0.0762 1.9327 incorrect 2/ 72 0.0000 1.0000 18.1199 6.6644 8.0898 Chang M01 0.0754 1.8957 incorrect 16/ 72 0.0120 0.9846 20.9124 5.3734 6.0473 Chang M02 0.0745 1.8559 incorrect 15/ 72 0.0000 1.0000 19.2598 5.9179 6.7849 S.Grudinin M10 0.0744 1.8517 incorrect 5/ 72 0.0000 1.0000 18.4083 6.7269 8.1083 Vakser M08 0.0742 1.8464 incorrect 1/ 72 0.0000 1.0000 18.5107 6.6361 8.4676 S.Grudinin M04 0.0722 1.7550 incorrect 2/ 72 0.0000 1.0000 19.0271 6.5243 8.1250 Zou M06 0.0702 1.6675 incorrect 9/ 72 0.1765 0.7857 54.8263 14.4305 15.0901 S.Venclovas M03 0.0702 1.6675 incorrect 9/ 72 0.1765 0.7857 54.8263 14.4305 15.0901 Zou M08 0.0698 1.6484 incorrect 8/ 72 0.0000 1.0000 18.8965 7.2462 9.1587 S.Zou M07 0.0697 1.6456 incorrect 8/ 72 0.0000 1.0000 18.9237 7.2272 9.1664 S.Bonvin M09 0.0679 1.5648 incorrect 1/ 72 0.0294 0.9688 21.3703 7.5750 8.8693 HADDOCK M10 0.0651 1.4382 incorrect 0/ 72 0.0000 1.0000 20.6497 6.5186 7.4464 Zacharias M03 0.0636 1.3730 incorrect 13/ 72 0.0000 1.0000 19.5755 8.2324 9.2567 S.LZERD M05 0.0630 1.3465 incorrect 9/ 72 0.1646 0.7451 67.6054 15.9010 15.8288 S.SWARMDOCK M08 0.0624 1.3205 incorrect 11/ 72 0.0000 1.0000 19.9690 8.0164 8.9523 GRAMM-X M02 0.0620 1.3007 incorrect 16/ 72 0.0000 1.0000 19.2363 9.8809 10.8298 Weng M09 0.0620 1.3004 incorrect 19/ 72 0.0000 1.0000 19.2519 9.8354 10.8242 Takeda-Shitaka M04 0.0617 1.2912 clashes,incorrect 124/ 72 0.0120 0.9951 20.2317 9.7299 11.0407 SWARMDOCK M10 0.0594 1.1885 incorrect 7/ 72 0.1325 0.8804 49.5188 11.3426 12.3924 Huang M02 0.0594 1.1866 incorrect 30/ 72 0.1471 0.9091 52.3874 20.3011 21.3142 S.Zou M02 0.0568 1.0704 incorrect 8/ 72 0.0000 1.0000 21.5847 7.7540 9.2886 Zou M02 0.0566 1.0608 incorrect 8/ 72 0.0000 1.0000 21.6326 7.7687 9.2633 Takeda-Shitaka M07 0.0555 1.0155 incorrect 60/ 72 0.0120 0.9937 26.0263 6.0319 7.2467 Eisenstein M04 0.0544 0.9638 incorrect 6/ 72 0.0000 1.0000 24.8658 6.0176 7.5008 Vakser M03 0.0522 0.8661 incorrect 15/ 72 0.0000 1.0000 22.1593 8.7959 9.9997 S.Vakser M06 0.0521 0.8609 incorrect 17/ 72 0.1205 0.9083 52.8730 14.5732 16.2339 Moal M10 0.0521 0.8609 incorrect 17/ 72 0.1205 0.9083 52.8730 14.5732 16.2339 Fernandez-Recio M09 0.0516 0.8405 incorrect 4/ 72 0.0120 0.9836 24.3400 7.9829 8.2748 Shen M02 0.0512 0.8236 incorrect 6/ 72 0.0000 1.0000 22.5983 8.5719 9.8464 Takeda-Shitaka M01 0.0506 0.7944 incorrect 27/ 72 0.0000 1.0000 26.8372 5.9102 7.3242 Vajda,Kozakov M09 0.0505 0.7909 incorrect 6/ 72 0.0241 0.9474 26.6517 7.8732 8.6250 CLUSPRO M09 0.0505 0.7909 incorrect 6/ 72 0.0241 0.9474 26.6517 7.8732 8.6250 Grudinin M06 0.0499 0.7671 incorrect 6/ 72 0.0000 1.0000 22.8998 8.7191 9.6562 S.Vakser M05 0.0497 0.7564 clashes,incorrect 113/ 72 0.0000 1.0000 21.4647 12.7948 12.6432 Takeda-Shitaka M02 0.0494 0.7411 incorrect 17/ 72 0.0120 0.9890 27.6804 6.5444 8.7234 Zou M05 0.0492 0.7319 incorrect 10/ 72 0.0000 1.0000 23.0355 8.8994 10.1689 Grudinin M02 0.0486 0.7057 incorrect 0/ 72 0.0000 1.0000 23.2536 8.8661 10.4181 S.LZERD M08 0.0485 0.7041 incorrect 4/ 72 0.0000 1.0000 23.2536 8.8842 10.5399 S.Oliva M01 0.0485 0.7036 incorrect 0/ 72 0.0294 0.9714 26.8255 9.3855 10.2612 Takeda-Shitaka M06 0.0482 0.6915 incorrect 25/ 72 0.0000 1.0000 29.1158 5.6338 8.2607 Negi M10 0.0479 0.6770 incorrect 9/ 72 0.0482 0.8750 30.2236 9.9418 11.4959 Negi M09 0.0477 0.6657 incorrect 21/ 72 0.0000 1.0000 28.2483 5.9391 6.5876 S.Kihara M10 0.0473 0.6508 incorrect 11/ 72 0.0588 0.9556 32.5414 10.6878 11.2330 Chang M03 0.0472 0.6454 incorrect 10/ 72 0.0000 1.0000 23.6982 8.8975 8.6854 Zacharias M09 0.0470 0.6350 incorrect 3/ 72 0.0482 0.9111 29.2227 12.2765 12.6615 Takeda-Shitaka M03 0.0469 0.6330 incorrect 63/ 72 0.0120 0.9932 27.7564 7.0726 7.9811 Grudinin M08 0.0468 0.6282 incorrect 10/ 72 0.0361 0.9423 31.4917 7.7119 8.4255 Huang M03 0.0467 0.6225 incorrect 16/ 72 0.0588 0.9583 32.0457 11.9375 13.2017 S.Seok M07 0.0464 0.6081 incorrect 4/ 72 0.0361 0.9524 32.2713 7.5343 8.1069 Shen M03 0.0458 0.5841 incorrect 4/ 72 0.0000 1.0000 24.0527 9.0990 10.2664 S.SWARMDOCK M06 0.0452 0.5565 incorrect 8/ 72 0.0000 1.0000 22.8753 12.4571 12.3477 Grudinin M10 0.0452 0.5565 incorrect 8/ 72 0.0000 1.0000 22.8753 12.4571 12.3477 Guerois M08 0.0446 0.5292 incorrect 14/ 72 0.0120 0.9882 24.9388 11.1760 11.8413 Grudinin M07 0.0446 0.5285 incorrect 2/ 72 0.0241 0.9565 26.7345 11.1362 12.8717 S.LZERD M01 0.0445 0.5241 incorrect 5/ 72 0.0241 0.9608 26.7739 11.1530 12.9373 S.Oliva M09 0.0443 0.5156 incorrect 8/ 72 0.0000 1.0000 23.3470 11.8335 11.9600 S.LZERD M06 0.0442 0.5119 incorrect 4/ 72 0.0000 1.0000 23.3696 11.8507 11.7634 GRAMM-X M04 0.0441 0.5066 incorrect 28/ 72 0.0000 1.0000 24.5584 9.3175 10.3629 Shen M01 0.0440 0.5034 incorrect 4/ 72 0.0000 1.0000 24.4323 9.5526 10.6525 S.Kihara M03 0.0436 0.4874 incorrect 7/ 72 0.0000 1.0000 23.1981 13.2880 14.3745 Weng M10 0.0429 0.4556 incorrect 16/ 72 0.0000 1.0000 23.7661 11.9989 12.7473 S.Bonvin M10 0.0427 0.4433 incorrect 0/ 72 0.0882 0.9348 48.4671 14.9801 15.7647 Takeda-Shitaka M10 0.0424 0.4300 clashes,incorrect 74/ 72 0.0120 0.9933 26.1467 10.6405 12.1110 S.Kihara M08 0.0417 0.4005 incorrect 13/ 72 0.0000 1.0000 23.5253 15.2326 15.8704 GRAMM-X M10 0.0417 0.3997 incorrect 14/ 72 0.0602 0.9231 46.1000 8.2578 9.6864 S.Zou M08 0.0415 0.3935 incorrect 13/ 72 0.0000 1.0000 26.1236 8.6995 9.3453 Zou M10 0.0414 0.3876 incorrect 7/ 72 0.0000 1.0000 26.1861 8.6972 9.3557 S.Venclovas M01 0.0414 0.3876 incorrect 7/ 72 0.0000 1.0000 26.1861 8.6972 9.3557 S.LZERD M04 0.0414 0.3867 incorrect 11/ 72 0.0964 0.8824 60.4178 16.3598 18.2996 S.Seok M01 0.0414 0.3862 incorrect 11/ 72 0.0964 0.8750 60.5378 16.3210 18.0919 Fernandez-Recio M02 0.0411 0.3752 incorrect 0/ 72 0.0120 0.9792 28.2910 8.7469 9.0063 Shen M09 0.0406 0.3531 incorrect 1/ 72 0.0000 1.0000 28.2171 7.4779 9.2018 S.Zou M05 0.0406 0.3514 incorrect 16/ 72 0.0000 1.0000 24.2898 13.2470 14.1905 Zou M07 0.0406 0.3511 incorrect 16/ 72 0.0000 1.0000 24.2948 13.2375 14.1802 Fernandez-Recio M01 0.0404 0.3440 incorrect 8/ 72 0.0000 1.0000 26.8356 8.5174 8.8569 Eisenstein M01 0.0404 0.3421 incorrect 5/ 72 0.0241 0.9623 28.7906 11.4549 13.2368 S.Seok M10 0.0404 0.3420 incorrect 4/ 72 0.0000 1.0000 23.9396 15.5893 15.9765 Shen M04 0.0401 0.3292 incorrect 6/ 72 0.0000 1.0000 26.2341 9.3191 10.5165 Moal M07 0.0397 0.3125 incorrect 17/ 72 0.0000 1.0000 24.1150 16.0837 16.9682 S.Fernandez-Recio M04 0.0396 0.3088 incorrect 12/ 72 0.0000 1.0000 24.1384 16.1448 17.0272 Vajda,Kozakov M06 0.0383 0.2488 incorrect 9/ 72 0.0843 0.8971 63.2624 13.1741 13.8630 CLUSPRO M06 0.0383 0.2488 incorrect 9/ 72 0.0843 0.8971 63.2624 13.1741 13.8630 GRAMM-X M01 0.0382 0.2463 incorrect 40/ 72 0.0000 1.0000 26.3229 10.4376 11.4284 S.Vakser M01 0.0381 0.2406 clashes,incorrect 171/ 72 0.0000 1.0000 24.5682 17.4028 17.0714 S.Moal M02 0.0380 0.2370 incorrect 5/ 72 0.0000 1.0000 24.5941 17.4545 17.1939 S.Weng M02 0.0376 0.2193 incorrect 16/ 72 0.0000 1.0000 25.8890 11.9443 12.9482 S.Vakser M02 0.0376 0.2193 incorrect 16/ 72 0.0000 1.0000 25.8890 11.9443 12.9488 S.Chang M02 0.0376 0.2193 incorrect 16/ 72 0.0000 1.0000 25.8890 11.9443 12.9488 Moal M08 0.0376 0.2193 incorrect 16/ 72 0.0000 1.0000 25.8890 11.9443 12.9488 Seok M02 0.0374 0.2079 incorrect 13/ 72 0.0843 0.8939 60.4007 16.3528 18.1579 Weng M01 0.0368 0.1851 clashes,incorrect 92/ 72 0.0000 1.0000 26.9172 10.5400 11.5663 S.Huang M03 0.0367 0.1798 incorrect 27/ 72 0.0000 1.0000 26.2612 12.0173 13.0164 Guerois M09 0.0367 0.1791 incorrect 16/ 72 0.0120 0.9917 27.1693 15.7650 16.5427 Negi M06 0.0365 0.1711 incorrect 13/ 72 0.0000 1.0000 27.0189 10.6309 11.8777 S.Huang M10 0.0364 0.1657 incorrect 23/ 72 0.0482 0.9524 40.2832 10.9591 11.9684 HADDOCK M07 0.0362 0.1555 incorrect 0/ 72 0.0000 1.0000 29.2768 8.4167 9.4853 Chang M04 0.0361 0.1524 incorrect 11/ 72 0.0000 1.0000 25.5691 15.9170 15.2953 S.Zou M09 0.0360 0.1466 incorrect 12/ 72 0.0000 1.0000 27.4741 10.3504 10.1512 Eisenstein M05 0.0359 0.1450 incorrect 7/ 72 0.0000 1.0000 29.1705 8.5952 10.0773 Zou M04 0.0359 0.1441 incorrect 12/ 72 0.0000 1.0000 27.4926 10.3668 10.1440 Vakser M10 0.0359 0.1431 incorrect 15/ 72 0.0361 0.9779 42.3966 8.1271 9.4925 Shen M08 0.0352 0.1134 incorrect 0/ 72 0.0000 1.0000 27.2353 11.4326 13.0012 S.Zou M04 0.0351 0.1065 incorrect 19/ 72 0.0000 1.0000 26.1819 15.0255 16.0445 S.Grudinin M08 0.0348 0.0949 incorrect 2/ 72 0.0000 1.0000 26.4513 14.3307 14.6742 S.Vakser M03 0.0347 0.0909 incorrect 58/ 72 0.0000 1.0000 25.9421 17.5956 17.1924 Fernandez-Recio M07 0.0345 0.0818 incorrect 2/ 72 0.0000 1.0000 28.0565 10.6417 11.1035 DelCarpio M04 0.0343 0.0742 incorrect 15/ 72 0.0361 0.9610 46.9763 7.8493 9.5025 S.Grudinin M07 0.0340 0.0611 incorrect 13/ 72 0.0000 1.0000 26.6093 15.2702 16.1776 S.Vakser M09 0.0338 0.0480 incorrect 18/ 72 0.0000 1.0000 26.7399 15.3222 16.2272 Eisenstein M06 0.0337 0.0466 incorrect 5/ 72 0.0000 1.0000 27.6967 12.1187 13.7145 Negi M04 0.0337 0.0446 incorrect 10/ 72 0.0241 0.9231 31.9750 14.2691 15.3680 Grudinin M05 0.0337 0.0439 incorrect 11/ 72 0.0000 1.0000 26.4201 17.6292 17.4200 Shen M05 0.0334 0.0308 incorrect 6/ 72 0.0000 1.0000 28.2622 11.3544 12.3354 Negi M07 0.0333 0.0287 incorrect 18/ 72 0.0361 0.9231 41.3843 9.6942 11.2097 HADDOCK M09 0.0328 0.0072 incorrect 4/ 72 0.0000 1.0000 27.2665 14.9727 15.3420 Venclovas M06 0.0328 0.0065 incorrect 0/ 72 0.0000 1.0000 30.2140 9.3445 10.6153 S.Huang M09 0.0325 -0.0069 incorrect 13/ 72 0.0361 0.9571 35.8891 16.3519 16.4000 S.Weng M04 0.0323 -0.0159 incorrect 29/ 72 0.0120 0.9877 29.6666 15.6686 16.6701 Chang M05 0.0321 -0.0258 incorrect 14/ 72 0.0000 1.0000 28.0671 13.4577 14.4141 S.Vakser M07 0.0321 -0.0260 incorrect 5/ 72 0.0000 1.0000 27.6364 15.0438 16.6929 Seok M03 0.0321 -0.0260 incorrect 5/ 72 0.0000 1.0000 27.6364 15.0438 16.6929 S.Bonvin M06 0.0321 -0.0271 incorrect 11/ 72 0.0000 1.0000 27.4741 15.8887 17.0118 S.LZERD M02 0.0321 -0.0273 incorrect 3/ 72 0.0000 1.0000 27.6477 15.0598 16.8691 Zou M01 0.0321 -0.0274 incorrect 11/ 72 0.0000 1.0000 27.4786 15.8821 17.0520 S.Venclovas M02 0.0321 -0.0274 incorrect 11/ 72 0.0000 1.0000 27.4786 15.8821 17.0520 S.Vakser M08 0.0321 -0.0274 incorrect 11/ 72 0.0000 1.0000 27.4786 15.8821 17.0520 S.Chang M09 0.0321 -0.0274 incorrect 11/ 72 0.0000 1.0000 27.4786 15.8821 17.0520 S.Fernandez-Recio M05 0.0320 -0.0288 incorrect 1/ 72 0.0000 1.0000 27.6522 15.1215 16.7715 DelCarpio M01 0.0317 -0.0446 incorrect 18/ 72 0.0361 0.9700 48.2325 8.7128 9.8664 S.Seok M06 0.0316 -0.0462 incorrect 8/ 72 0.0000 1.0000 27.8997 14.9534 16.5014 Vakser M05 0.0316 -0.0475 incorrect 6/ 72 0.0000 1.0000 30.4224 9.9090 10.8761 S.Zou M01 0.0315 -0.0511 incorrect 11/ 72 0.0000 1.0000 27.7319 16.0175 17.1190 Fernandez-Fuentes M08 0.0313 -0.0604 incorrect 32/ 72 0.0602 0.9359 55.1055 14.5615 15.0345 LZERD M07 0.0312 -0.0635 incorrect 7/ 72 0.0120 0.9917 34.4115 9.5192 11.1634 Kihara M07 0.0312 -0.0635 incorrect 7/ 72 0.0120 0.9917 34.4115 9.5192 11.1634 LZERD M06 0.0312 -0.0639 incorrect 7/ 72 0.0120 0.9917 34.4062 9.5284 11.0683 Kihara M06 0.0312 -0.0639 incorrect 7/ 72 0.0120 0.9917 34.4062 9.5284 11.0683 LZERD M04 0.0312 -0.0643 incorrect 4/ 72 0.0120 0.9919 34.4200 9.5251 11.1021 Kihara M04 0.0312 -0.0643 incorrect 4/ 72 0.0120 0.9919 34.4200 9.5251 11.1021 LZERD M02 0.0312 -0.0653 incorrect 5/ 72 0.0120 0.9921 34.4438 9.5240 11.1241 Kihara M02 0.0312 -0.0653 incorrect 5/ 72 0.0120 0.9921 34.4438 9.5240 11.1241 S.Seok M02 0.0311 -0.0718 incorrect 4/ 72 0.0000 1.0000 29.6910 11.2641 11.2286 Vakser M01 0.0308 -0.0844 incorrect 20/ 72 0.0000 1.0000 31.2616 9.6740 10.3398 S.SWARMDOCK M10 0.0307 -0.0888 incorrect 36/ 72 0.0000 1.0000 31.9446 9.1980 10.0085 DelCarpio M10 0.0306 -0.0910 incorrect 11/ 72 0.0000 1.0000 28.5079 14.7515 15.3101 S.Seok M05 0.0303 -0.1057 incorrect 3/ 72 0.0000 1.0000 36.5040 7.4016 8.4864 Venclovas M03 0.0301 -0.1123 incorrect 11/ 72 0.0120 0.9722 34.5909 10.1218 11.4682 SWARMDOCK M03 0.0300 -0.1185 incorrect 3/ 72 0.0602 0.9107 62.5473 13.7966 15.5015 Chang M06 0.0298 -0.1272 incorrect 14/ 72 0.0000 1.0000 28.4401 17.3383 17.4533 Gray M04 0.0298 -0.1285 incorrect 2/ 72 0.0000 1.0000 30.4510 11.3876 11.5107 S.Weng M08 0.0297 -0.1329 incorrect 14/ 72 0.0602 0.9524 55.5411 19.3728 21.0972 S.SWARMDOCK M04 0.0296 -0.1378 incorrect 39/ 72 0.0000 1.0000 30.4975 11.5338 13.0096 Huang M01 0.0296 -0.1378 incorrect 39/ 72 0.0000 1.0000 30.4975 11.5338 13.0096 Gray M03 0.0294 -0.1445 incorrect 3/ 72 0.0000 1.0000 30.5773 11.5715 11.6392 S.Moal M10 0.0294 -0.1462 incorrect 12/ 72 0.0000 1.0000 30.0802 12.4989 12.9259 Fernandez-Recio M05 0.0293 -0.1513 incorrect 0/ 72 0.0000 1.0000 30.2256 12.3591 12.7116 Shen M10 0.0293 -0.1520 incorrect 5/ 72 0.0000 1.0000 28.8653 16.7468 17.5165 S.Chang M06 0.0292 -0.1535 incorrect 17/ 72 0.0000 1.0000 28.7155 17.7487 18.2522 S.Grudinin M02 0.0292 -0.1541 incorrect 1/ 72 0.0000 1.0000 32.9982 9.2939 10.8488 Weng M05 0.0291 -0.1593 clashes,incorrect 104/ 72 0.0000 1.0000 30.0031 13.0897 14.0850 S.Fernandez-Recio M09 0.0290 -0.1621 incorrect 5/ 72 0.0000 1.0000 28.7949 17.9682 18.5432 S.Zou M10 0.0289 -0.1656 incorrect 9/ 72 0.0000 1.0000 28.8476 17.9253 18.4477 Zacharias M04 0.0289 -0.1667 incorrect 2/ 72 0.0000 1.0000 35.5933 8.1442 9.5568 Vajda,Kozakov M07 0.0289 -0.1681 incorrect 14/ 72 0.0000 1.0000 33.5844 9.0977 9.7011 CLUSPRO M07 0.0289 -0.1681 incorrect 14/ 72 0.0000 1.0000 33.5844 9.0977 9.7011 ZDOCK M07 0.0289 -0.1685 clashes,incorrect 88/ 72 0.0361 0.9700 41.3478 14.9331 15.7995 ZDOCK M01 0.0288 -0.1739 clashes,incorrect 135/ 72 0.0361 0.9709 41.5196 14.9658 15.8173 S.Fernandez-Recio M03 0.0285 -0.1862 incorrect 7/ 72 0.0000 1.0000 33.6587 9.2738 10.8291 Seok M09 0.0285 -0.1865 incorrect 8/ 72 0.0000 1.0000 33.7355 9.2298 10.8134 S.Chang M04 0.0285 -0.1865 incorrect 8/ 72 0.0000 1.0000 33.7355 9.2298 10.8134 S.Oliva M08 0.0283 -0.1946 incorrect 23/ 72 0.0000 1.0000 31.6288 11.2324 12.1822 HADDOCK M04 0.0283 -0.1959 incorrect 6/ 72 0.0000 1.0000 29.8248 15.1849 15.2756 DelCarpio M08 0.0282 -0.2008 incorrect 15/ 72 0.0241 0.9756 40.2401 11.1928 12.1896 Moal M04 0.0280 -0.2057 incorrect 9/ 72 0.0000 1.0000 30.4189 13.7860 15.3950 Vajda,Kozakov M03 0.0279 -0.2124 incorrect 5/ 72 0.0482 0.9111 57.3133 12.6113 13.4481 CLUSPRO M03 0.0279 -0.2124 incorrect 5/ 72 0.0482 0.9111 57.3133 12.6113 13.4481 S.Grudinin M05 0.0278 -0.2150 incorrect 15/ 72 0.0241 0.9787 48.3366 8.6183 9.7519 HADDOCK M03 0.0278 -0.2172 incorrect 8/ 72 0.0000 1.0000 30.1134 15.2717 15.3498 S.Bonvin M05 0.0278 -0.2172 incorrect 8/ 72 0.0000 1.0000 30.1138 15.2704 15.3494 HADDOCK M08 0.0278 -0.2172 incorrect 3/ 72 0.0000 1.0000 29.8621 16.2993 16.4368 S.Bonvin M07 0.0277 -0.2226 incorrect 22/ 72 0.0294 0.9804 39.5208 15.4204 15.8630 Huang M06 0.0275 -0.2298 incorrect 10/ 72 0.0000 1.0000 30.7396 13.9253 15.1433 S.Kihara M02 0.0274 -0.2339 incorrect 7/ 72 0.0241 0.9512 49.8084 8.5558 10.2083 DelCarpio M03 0.0273 -0.2389 incorrect 16/ 72 0.0000 1.0000 30.3531 15.5949 16.1221 LZERD M10 0.0273 -0.2406 incorrect 4/ 72 0.0000 1.0000 34.4128 9.5108 11.1970 Kihara M10 0.0273 -0.2406 incorrect 4/ 72 0.0000 1.0000 34.4128 9.5108 11.1970 LZERD M03 0.0273 -0.2406 incorrect 7/ 72 0.0000 1.0000 34.4283 9.5019 11.0846 Kihara M03 0.0273 -0.2406 incorrect 7/ 72 0.0000 1.0000 34.4283 9.5019 11.0846 LZERD M05 0.0273 -0.2408 incorrect 7/ 72 0.0000 1.0000 34.4148 9.5130 11.1151 Kihara M05 0.0273 -0.2408 incorrect 7/ 72 0.0000 1.0000 34.4148 9.5130 11.1151 LZERD M09 0.0272 -0.2412 incorrect 6/ 72 0.0000 1.0000 34.4038 9.5255 11.0696 Kihara M09 0.0272 -0.2412 incorrect 6/ 72 0.0000 1.0000 34.4038 9.5255 11.0696 LZERD M08 0.0272 -0.2414 incorrect 7/ 72 0.0000 1.0000 34.4226 9.5158 11.1716 Kihara M08 0.0272 -0.2414 incorrect 7/ 72 0.0000 1.0000 34.4226 9.5158 11.1716 LZERD M01 0.0272 -0.2418 incorrect 5/ 72 0.0000 1.0000 34.4242 9.5202 11.1355 Kihara M01 0.0272 -0.2418 incorrect 5/ 72 0.0000 1.0000 34.4242 9.5202 11.1355 S.Weng M01 0.0271 -0.2453 incorrect 8/ 72 0.0000 1.0000 39.7926 7.5668 8.7845 Seok M06 0.0271 -0.2453 incorrect 8/ 72 0.0000 1.0000 39.7926 7.5668 8.7845 S.Chang M01 0.0271 -0.2453 incorrect 8/ 72 0.0000 1.0000 39.7926 7.5668 8.7845 Weng M04 0.0271 -0.2496 incorrect 56/ 72 0.0241 0.9747 50.4567 8.6091 9.8071 S.Zou M06 0.0270 -0.2511 incorrect 10/ 72 0.0000 1.0000 39.7744 7.6118 8.7835 S.Huang M05 0.0270 -0.2520 incorrect 16/ 72 0.0000 1.0000 39.9298 7.5841 8.8062 S.Fernandez-Recio M01 0.0269 -0.2572 incorrect 4/ 72 0.0000 1.0000 39.8244 7.6442 8.8291 Seok M08 0.0268 -0.2628 incorrect 6/ 72 0.0241 0.9630 48.3561 9.1451 11.3024 S.Venclovas M08 0.0267 -0.2659 incorrect 2/ 72 0.0000 1.0000 39.1524 7.8704 8.7449 S.Venclovas M05 0.0265 -0.2729 incorrect 0/ 72 0.0000 1.0000 39.0493 7.9530 8.7932 Moal M03 0.0265 -0.2730 incorrect 17/ 72 0.0361 0.9674 45.6438 14.9529 17.0458 S.Weng M03 0.0265 -0.2730 incorrect 17/ 72 0.0361 0.9670 45.6439 14.9529 17.0403 S.SWARMDOCK M03 0.0265 -0.2730 incorrect 17/ 72 0.0361 0.9674 45.6439 14.9529 17.0458 S.Fernandez-Recio M08 0.0264 -0.2786 incorrect 0/ 72 0.0361 0.9625 44.1312 17.4510 19.5649 Huang M07 0.0260 -0.2952 incorrect 26/ 72 0.0000 1.0000 31.7082 14.1973 15.4786 S.Venclovas M10 0.0260 -0.2956 incorrect 2/ 72 0.0000 1.0000 39.5880 7.9973 8.8011 Zacharias M01 0.0258 -0.3033 incorrect 2/ 72 0.0361 0.9189 56.2581 10.7454 12.4805 Guerois M10 0.0255 -0.3196 incorrect 14/ 72 0.0482 0.9365 56.8927 18.6909 19.3143 Vakser M04 0.0255 -0.3200 incorrect 20/ 72 0.0000 1.0000 35.6196 9.8805 11.2058 S.Huang M06 0.0254 -0.3250 incorrect 20/ 72 0.0361 0.9762 48.2991 14.9793 15.7292 S.Moal M04 0.0253 -0.3281 incorrect 14/ 72 0.0361 0.9737 48.5848 14.8799 15.7280 S.Weng M06 0.0253 -0.3283 incorrect 7/ 72 0.0361 0.9737 48.4912 14.9766 15.7412 Seok M05 0.0253 -0.3283 incorrect 7/ 72 0.0361 0.9737 48.4912 14.9766 15.7412 S.Chang M03 0.0253 -0.3283 incorrect 7/ 72 0.0361 0.9737 48.4912 14.9766 15.7412 S.Zou M03 0.0253 -0.3293 incorrect 16/ 72 0.0361 0.9735 48.5415 14.9783 15.8031 S.LZERD M07 0.0253 -0.3294 incorrect 11/ 72 0.0361 0.9732 48.5479 14.9785 15.6399 S.Fernandez-Recio M07 0.0252 -0.3305 incorrect 7/ 72 0.0361 0.9739 48.5531 15.0325 15.7970 Iwadate M01 0.0252 -0.3308 incorrect 21/ 72 0.0000 1.0000 35.3879 10.2104 10.8055 S.Grudinin M06 0.0252 -0.3321 incorrect 19/ 72 0.0361 0.9700 48.5683 15.1015 15.8356 Huang M05 0.0252 -0.3322 incorrect 23/ 72 0.0000 1.0000 31.6772 16.2836 17.3726 Iwadate M02 0.0251 -0.3377 incorrect 20/ 72 0.0000 1.0000 35.5050 10.2408 10.7715 DelCarpio M05 0.0249 -0.3443 incorrect 22/ 72 0.0000 1.0000 34.4425 11.2876 12.5125 S.Moal M01 0.0249 -0.3474 incorrect 18/ 72 0.0241 0.9737 41.2893 15.0805 17.2470 S.Venclovas M06 0.0248 -0.3502 incorrect 0/ 72 0.0000 1.0000 41.0281 8.0930 9.6279 S.Huang M02 0.0248 -0.3502 incorrect 12/ 72 0.0000 1.0000 33.7758 12.2357 13.9173 DelCarpio M02 0.0248 -0.3518 incorrect 15/ 72 0.0000 1.0000 38.9151 8.7234 10.3703 Vajda,Kozakov M01 0.0247 -0.3524 incorrect 4/ 72 0.0482 0.9024 67.4168 14.6524 15.2581 CLUSPRO M01 0.0247 -0.3524 incorrect 4/ 72 0.0482 0.9024 67.4168 14.6524 15.2581 S.Venclovas M04 0.0247 -0.3539 incorrect 0/ 72 0.0000 1.0000 40.3464 8.3018 9.8805 Chang M08 0.0247 -0.3562 incorrect 20/ 72 0.0120 0.9872 35.5413 16.8571 19.4668 S.Venclovas M07 0.0246 -0.3575 incorrect 0/ 72 0.0000 1.0000 40.9642 8.1720 9.7327 Guerois M01 0.0245 -0.3635 incorrect 4/ 72 0.0361 0.9167 51.4548 14.3537 14.7030 HADDOCK M06 0.0244 -0.3666 incorrect 4/ 72 0.0000 1.0000 34.0174 12.3705 14.0342 S.Seok M03 0.0244 -0.3691 incorrect 5/ 72 0.0241 0.9592 48.4959 10.7259 11.5799 S.Bonvin M03 0.0243 -0.3700 incorrect 7/ 72 0.0000 1.0000 34.0849 12.3754 14.0465 Venclovas M01 0.0241 -0.3786 incorrect 21/ 72 0.0000 1.0000 32.8591 15.1338 14.5608 Guerois M07 0.0240 -0.3856 incorrect 10/ 72 0.0361 0.9634 50.8405 16.0262 16.8892 Venclovas M04 0.0240 -0.3862 incorrect 57/ 72 0.0000 1.0000 33.0057 15.1253 14.5428 S.Kihara M09 0.0239 -0.3901 incorrect 15/ 72 0.0000 1.0000 33.4534 14.2061 15.0904 S.Oliva M02 0.0238 -0.3934 incorrect 5/ 72 0.0000 1.0000 34.4940 12.4982 14.2364 Guerois M02 0.0238 -0.3950 incorrect 2/ 72 0.0361 0.9375 51.6403 15.8619 16.4147 S.Gray M04 0.0233 -0.4146 incorrect 4/ 72 0.0000 1.0000 39.7118 9.1440 10.5365 Fernandez-Fuentes M02 0.0233 -0.4165 incorrect 37/ 72 0.0241 0.9733 46.0290 13.1674 13.3873 S.Weng M09 0.0230 -0.4316 incorrect 19/ 72 0.0361 0.9659 56.2971 14.5761 14.3441 Guerois M03 0.0230 -0.4317 incorrect 2/ 72 0.0361 0.9483 59.4188 13.2212 14.2536 Fernandez-Recio M10 0.0229 -0.4336 incorrect 4/ 72 0.0120 0.9844 38.2660 15.1496 15.6207 Huang M09 0.0228 -0.4370 incorrect 31/ 72 0.0000 1.0000 33.4716 16.7866 18.0041 S.Chang M05 0.0227 -0.4411 incorrect 18/ 72 0.0000 1.0000 35.7519 12.2710 13.1887 DelCarpio M09 0.0227 -0.4411 incorrect 18/ 72 0.0000 1.0000 35.7519 12.2710 13.1887 Weng M02 0.0227 -0.4444 clashes,incorrect 97/ 72 0.0000 1.0000 34.0972 15.3244 16.3338 Fernandez-Recio M08 0.0225 -0.4520 incorrect 0/ 72 0.0120 0.9836 38.4542 15.8238 16.1497 S.LZERD M10 0.0224 -0.4578 incorrect 13/ 72 0.0380 0.9464 61.4585 14.6863 15.0780 Negi M02 0.0222 -0.4634 incorrect 15/ 72 0.0120 0.9688 42.7358 11.5219 12.0987 S.SWARMDOCK M01 0.0221 -0.4712 clashes,incorrect 94/ 72 0.0120 0.9865 39.4375 15.0775 15.6173 DelCarpio M07 0.0221 -0.4714 incorrect 18/ 72 0.0000 1.0000 34.0901 17.0888 17.5664 Fernandez-Recio M04 0.0220 -0.4743 incorrect 2/ 72 0.0120 0.9846 39.4559 15.2101 15.7648 SWARMDOCK M01 0.0220 -0.4750 incorrect 14/ 72 0.0361 0.9610 60.8116 14.4426 14.7706 Fernandez-Fuentes M01 0.0220 -0.4760 incorrect 43/ 72 0.0241 0.9759 46.0423 15.9113 16.2393 Grudinin M01 0.0219 -0.4767 incorrect 3/ 72 0.0241 0.9697 45.1135 17.3276 19.5632 S.Grudinin M09 0.0219 -0.4767 incorrect 3/ 72 0.0241 0.9697 45.1143 17.3273 19.5628 Vakser M02 0.0219 -0.4795 incorrect 39/ 72 0.0000 1.0000 34.2114 17.2654 16.6277 ZDOCK M09 0.0218 -0.4812 clashes,incorrect 109/ 72 0.0120 0.9909 39.3533 15.7927 16.0055 Guerois M06 0.0218 -0.4813 incorrect 16/ 72 0.0000 1.0000 35.6456 13.7809 15.0755 Seok M01 0.0218 -0.4826 incorrect 2/ 72 0.0000 1.0000 38.3573 10.8924 11.0919 SWARMDOCK M07 0.0218 -0.4851 incorrect 5/ 72 0.0120 0.9848 39.4438 15.8496 16.2926 S.Moal M09 0.0217 -0.4857 incorrect 21/ 72 0.0361 0.9610 61.4903 14.6578 15.0183 Moal M02 0.0217 -0.4860 incorrect 21/ 72 0.0361 0.9583 61.4585 14.6863 15.1043 S.Grudinin M03 0.0217 -0.4887 incorrect 4/ 72 0.0000 1.0000 38.5638 10.8725 11.1169 SWARMDOCK M05 0.0217 -0.4888 incorrect 13/ 72 0.0361 0.9531 61.2704 14.9076 15.2128 Guerois M05 0.0216 -0.4936 incorrect 6/ 72 0.0241 0.9701 46.6485 16.2578 16.4779 Venclovas M05 0.0215 -0.4950 incorrect 15/ 72 0.0000 1.0000 38.3122 11.1830 12.4119 GRAMM-X M08 0.0211 -0.5142 incorrect 13/ 72 0.0000 1.0000 35.5838 15.4759 15.9892 S.LZERD M09 0.0210 -0.5170 incorrect 8/ 72 0.0127 0.9859 40.7879 15.9429 16.2636 S.Moal M08 0.0209 -0.5232 incorrect 7/ 72 0.0000 1.0000 39.3270 11.0643 11.3654 S.Kihara M05 0.0209 -0.5236 incorrect 8/ 72 0.0000 1.0000 40.7356 10.2597 9.9699 Zacharias M07 0.0209 -0.5245 incorrect 2/ 72 0.0120 0.9643 43.1682 12.9376 13.2256 SWARMDOCK M04 0.0206 -0.5349 incorrect 8/ 72 0.0120 0.9863 41.0610 15.9198 16.2609 S.Huang M07 0.0206 -0.5369 incorrect 22/ 72 0.0000 1.0000 39.4373 11.2840 11.6527 Venclovas M02 0.0205 -0.5404 incorrect 27/ 72 0.0000 1.0000 39.4781 11.3339 12.3809 Gray M01 0.0205 -0.5404 incorrect 4/ 72 0.0120 0.9787 47.7575 10.8331 11.5279 S.Fernandez-Recio M02 0.0205 -0.5407 incorrect 1/ 72 0.0000 1.0000 39.6285 11.2357 11.5408 S.Bonvin M08 0.0205 -0.5419 incorrect 19/ 72 0.0294 0.9688 56.5236 15.0013 16.1719 Seok M10 0.0205 -0.5422 incorrect 3/ 72 0.0000 1.0000 39.7684 11.1732 11.5138 Gray M02 0.0204 -0.5429 incorrect 4/ 72 0.0120 0.9773 47.7384 10.8901 11.5692 Fernandez-Recio M06 0.0204 -0.5453 incorrect 4/ 72 0.0000 1.0000 36.1811 15.8472 15.7773 S.Oliva M04 0.0203 -0.5494 incorrect 6/ 72 0.0120 0.9688 48.5615 10.7254 11.5147 S.Grudinin M01 0.0203 -0.5516 incorrect 7/ 72 0.0000 1.0000 39.9207 11.2752 11.5997 S.Moal M05 0.0199 -0.5679 incorrect 10/ 72 0.0294 0.9744 57.5597 15.8117 16.8358 Chang M10 0.0198 -0.5719 incorrect 13/ 72 0.0000 1.0000 35.7137 19.6702 21.4898 GRAMM-X M09 0.0197 -0.5764 incorrect 22/ 72 0.0120 0.9821 50.9636 10.4945 11.5234 Fernandez-Recio M03 0.0197 -0.5768 incorrect 2/ 72 0.0000 1.0000 37.4599 14.8587 15.8859 Guerois M04 0.0196 -0.5788 incorrect 0/ 72 0.0361 0.8500 69.1834 16.7538 17.3112 Grudinin M04 0.0195 -0.5854 incorrect 10/ 72 0.0000 1.0000 36.6518 17.3292 20.4388 SWARMDOCK M08 0.0194 -0.5902 incorrect 7/ 72 0.0120 0.9839 43.2047 15.8398 16.3683 Vakser M09 0.0193 -0.5955 incorrect 43/ 72 0.0361 0.9776 67.7215 19.0147 19.3842 Negi M08 0.0192 -0.5987 incorrect 22/ 72 0.0000 1.0000 49.5143 8.6871 9.7340 GRAMM-X M06 0.0191 -0.6011 incorrect 18/ 72 0.0000 1.0000 37.5018 16.1495 17.0400 Moal M05 0.0191 -0.6048 incorrect 6/ 72 0.0120 0.9831 43.6621 16.0551 16.4145 S.Kihara M04 0.0190 -0.6081 incorrect 15/ 72 0.0000 1.0000 38.4755 14.6252 14.3738 S.Huang M08 0.0190 -0.6085 incorrect 15/ 72 0.0000 1.0000 38.0687 15.3760 16.9361 SWARMDOCK M02 0.0190 -0.6087 incorrect 9/ 72 0.0120 0.9857 43.8932 15.9590 16.4525 S.Bonvin M04 0.0189 -0.6114 incorrect 10/ 72 0.0000 1.0000 45.5869 9.7504 11.7728 S.Vakser M04 0.0189 -0.6136 incorrect 3/ 72 0.0000 1.0000 38.2249 15.3522 16.9144 Seok M07 0.0189 -0.6136 incorrect 3/ 72 0.0000 1.0000 38.2249 15.3522 16.9144 Gray M05 0.0188 -0.6142 incorrect 8/ 72 0.0000 1.0000 45.6289 9.7776 11.7624 S.Gray M03 0.0188 -0.6146 incorrect 11/ 72 0.0000 1.0000 45.9502 9.6859 11.7333 ZDOCK M10 0.0188 -0.6149 clashes,incorrect 121/ 72 0.0241 0.9753 53.2090 17.2519 18.3433 Gray M07 0.0188 -0.6150 incorrect 4/ 72 0.0000 1.0000 45.8037 9.7365 11.8008 S.Gray M10 0.0188 -0.6158 incorrect 11/ 72 0.0000 1.0000 45.9719 9.6968 11.7690 S.Gray M07 0.0188 -0.6176 incorrect 10/ 72 0.0000 1.0000 46.0505 9.6996 11.7303 S.Gray M01 0.0188 -0.6181 incorrect 14/ 72 0.0000 1.0000 45.9277 9.7437 11.6429 S.Fernandez-Recio M10 0.0187 -0.6187 incorrect 0/ 72 0.0000 1.0000 38.3399 15.4134 16.9611 S.Gray M09 0.0187 -0.6195 incorrect 11/ 72 0.0000 1.0000 45.8273 9.7948 11.6822 S.Gray M02 0.0187 -0.6209 incorrect 12/ 72 0.0000 1.0000 46.1050 9.7310 11.7092 S.Gray M08 0.0187 -0.6223 incorrect 11/ 72 0.0000 1.0000 45.9003 9.8139 11.6073 S.Gray M06 0.0186 -0.6259 incorrect 12/ 72 0.0000 1.0000 46.3742 9.7246 11.8280 Wallner M09 0.0185 -0.6273 incorrect 3/ 72 0.0000 1.0000 40.1700 13.1787 13.7702 S.SWARMDOCK M05 0.0185 -0.6279 incorrect 6/ 72 0.0000 1.0000 46.1347 9.8256 11.8210 Gray M06 0.0185 -0.6279 incorrect 6/ 72 0.0000 1.0000 46.1347 9.8256 11.8210 S.Gray M05 0.0185 -0.6309 incorrect 10/ 72 0.0000 1.0000 46.3929 9.7934 11.8987 Fernandez-Fuentes M06 0.0184 -0.6323 incorrect 39/ 72 0.0000 1.0000 43.3463 10.9929 12.0753 S.Seok M09 0.0184 -0.6334 incorrect 1/ 72 0.0000 1.0000 43.5588 10.9109 12.4870 Gray M08 0.0180 -0.6504 incorrect 8/ 72 0.0000 1.0000 47.0739 9.8851 11.8536 GRAMM-X M07 0.0180 -0.6524 incorrect 14/ 72 0.0000 1.0000 51.6592 8.9047 10.1088 SWARMDOCK M06 0.0179 -0.6578 incorrect 1/ 72 0.0120 0.9828 46.0700 16.0421 16.4772 Eisenstein M08 0.0176 -0.6706 incorrect 16/ 72 0.0000 1.0000 46.7057 10.3276 11.5754 Huang M08 0.0176 -0.6711 incorrect 9/ 72 0.0000 1.0000 39.1132 17.1487 17.8576 Weng M07 0.0175 -0.6745 incorrect 6/ 72 0.0000 1.0000 41.2302 13.7909 14.4540 DelCarpio M06 0.0175 -0.6751 incorrect 12/ 72 0.0000 1.0000 41.3486 13.6828 14.2537 Shen M07 0.0174 -0.6781 incorrect 3/ 72 0.0000 1.0000 47.4245 10.2197 11.6467 S.Weng M05 0.0174 -0.6804 incorrect 24/ 72 0.0120 0.9873 48.0532 15.1397 16.1575 S.Vakser M10 0.0174 -0.6804 incorrect 24/ 72 0.0120 0.9873 48.0532 15.1397 16.1621 Fernandez-Fuentes M10 0.0172 -0.6856 incorrect 39/ 72 0.0000 1.0000 46.3337 10.7348 11.8222 S.Huang M04 0.0172 -0.6871 incorrect 37/ 72 0.0000 1.0000 39.6742 17.0058 16.6173 GRAMM-X M05 0.0172 -0.6874 incorrect 13/ 72 0.0000 1.0000 40.4499 15.4832 15.9822 Chang M07 0.0171 -0.6915 incorrect 10/ 72 0.0000 1.0000 39.2855 18.4199 20.9115 S.Oliva M05 0.0171 -0.6918 incorrect 15/ 72 0.0000 1.0000 41.4385 14.2810 14.9529 Fernandez-Fuentes M04 0.0171 -0.6923 incorrect 51/ 72 0.0000 1.0000 44.1583 11.9438 13.4326 Weng M03 0.0169 -0.7013 incorrect 48/ 72 0.0000 1.0000 47.5222 10.5955 11.0022 S.Kihara M06 0.0169 -0.7015 incorrect 3/ 72 0.0000 1.0000 47.0809 10.7583 11.4945 Zacharias M02 0.0169 -0.7015 incorrect 1/ 72 0.0241 0.9412 59.5421 18.4588 19.2476 GRAMM-X M03 0.0168 -0.7039 incorrect 23/ 72 0.0000 1.0000 42.1843 13.9348 14.3739 Chang M09 0.0165 -0.7199 incorrect 9/ 72 0.0000 1.0000 41.1440 16.2408 19.0645 Wallner M10 0.0164 -0.7220 incorrect 1/ 72 0.0000 1.0000 44.6783 12.4457 13.1091 Gray M10 0.0161 -0.7366 incorrect 6/ 72 0.0000 1.0000 44.7115 12.8804 14.2108 Zacharias M08 0.0160 -0.7406 incorrect 0/ 72 0.0000 1.0000 43.4117 14.1755 14.8949 S.Seok M04 0.0160 -0.7406 incorrect 7/ 72 0.0000 1.0000 45.2276 12.6454 14.0375 Huang M10 0.0159 -0.7440 incorrect 10/ 72 0.0000 1.0000 44.8838 12.9994 13.7346 Gray M09 0.0157 -0.7555 incorrect 10/ 72 0.0000 1.0000 44.9274 13.3721 14.6240 Vajda,Kozakov M04 0.0155 -0.7605 incorrect 9/ 72 0.0000 1.0000 49.6926 11.0100 11.4678 CLUSPRO M04 0.0155 -0.7605 incorrect 9/ 72 0.0000 1.0000 49.6926 11.0100 11.4678 Negi M03 0.0153 -0.7699 incorrect 17/ 72 0.0000 1.0000 48.9125 11.5100 12.0677 S.SWARMDOCK M09 0.0153 -0.7712 incorrect 58/ 72 0.0000 1.0000 45.4984 13.4972 13.4506 S.Chang M08 0.0147 -0.7999 incorrect 25/ 72 0.0120 0.9889 54.7142 16.2759 17.5086 SWARMDOCK M09 0.0145 -0.8064 incorrect 8/ 72 0.0000 1.0000 51.8884 11.2676 12.1212 Negi M01 0.0145 -0.8074 incorrect 18/ 72 0.0000 1.0000 61.0641 9.4707 11.3135 S.Huang M01 0.0144 -0.8133 incorrect 24/ 72 0.0000 1.0000 46.7284 14.1896 13.9892 S.Weng M07 0.0143 -0.8153 incorrect 22/ 72 0.0000 1.0000 52.4370 11.2907 12.0122 Moal M01 0.0143 -0.8153 incorrect 23/ 72 0.0000 1.0000 52.4370 11.2907 12.0103 Huang M04 0.0143 -0.8154 incorrect 32/ 72 0.0000 1.0000 45.8379 15.1582 16.9110 Moal M06 0.0141 -0.8236 incorrect 4/ 72 0.0120 0.9833 62.1940 13.5830 14.1019 Shen M06 0.0140 -0.8287 incorrect 8/ 72 0.0000 1.0000 47.6348 14.1068 13.9982 S.Kihara M01 0.0136 -0.8461 incorrect 10/ 72 0.0000 1.0000 46.4208 16.2705 16.4733 ZDOCK M05 0.0136 -0.8491 clashes,incorrect 150/ 72 0.0000 1.0000 45.4185 18.0941 17.6832 Zacharias M05 0.0135 -0.8530 incorrect 2/ 72 0.0000 1.0000 54.1130 11.6465 13.6952 S.Kihara M07 0.0133 -0.8590 incorrect 9/ 72 0.0000 1.0000 46.7056 16.7746 17.2686 Fernandez-Fuentes M05 0.0133 -0.8599 incorrect 60/ 72 0.0000 1.0000 46.7503 16.7708 16.6908 S.Oliva M10 0.0133 -0.8613 incorrect 13/ 72 0.0000 1.0000 51.9576 12.6916 13.9944 Fernandez-Fuentes M03 0.0130 -0.8722 incorrect 36/ 72 0.0000 1.0000 48.4195 15.5633 14.9976 Negi M05 0.0126 -0.8919 incorrect 11/ 72 0.0000 1.0000 61.0902 10.8432 11.8817 Grudinin M09 0.0122 -0.9092 incorrect 4/ 72 0.0000 1.0000 48.9504 17.4529 17.5316 Vajda,Kozakov M08 0.0122 -0.9108 incorrect 5/ 72 0.0000 1.0000 54.8075 13.0664 13.2672 CLUSPRO M08 0.0122 -0.9108 incorrect 5/ 72 0.0000 1.0000 54.8075 13.0664 13.2672 S.Chang M07 0.0120 -0.9171 incorrect 22/ 72 0.0000 1.0000 49.5127 17.3240 17.5862 Eisenstein M07 0.0120 -0.9193 incorrect 2/ 72 0.0000 1.0000 50.5263 16.2979 17.0990 Zacharias M06 0.0116 -0.9367 incorrect 8/ 72 0.0000 1.0000 53.3000 14.9684 16.2440 Vajda,Kozakov M02 0.0112 -0.9516 incorrect 11/ 72 0.0000 1.0000 51.5213 17.5644 18.0656 CLUSPRO M02 0.0112 -0.9516 incorrect 11/ 72 0.0000 1.0000 51.5213 17.5644 18.0656 S.Chang M10 0.0110 -0.9607 incorrect 9/ 72 0.0000 1.0000 52.4094 17.2625 20.3112 S.Fernandez-Recio M06 0.0110 -0.9621 incorrect 6/ 72 0.0000 1.0000 52.4460 17.3284 20.3586 Wallner M04 0.0110 -0.9623 incorrect 3/ 72 0.0000 1.0000 57.2378 13.9443 14.9213 Wallner M07 0.0108 -0.9717 incorrect 6/ 72 0.0000 1.0000 58.3575 13.8401 14.9658 Wallner M02 0.0108 -0.9722 incorrect 8/ 72 0.0000 1.0000 57.0109 14.4883 15.4600 Wallner M03 0.0107 -0.9751 incorrect 3/ 72 0.0000 1.0000 58.4712 13.9331 14.9700 Wallner M01 0.0107 -0.9752 incorrect 4/ 72 0.0000 1.0000 58.1966 14.0586 15.1331 ZDOCK M02 0.0107 -0.9776 clashes,incorrect 182/ 72 0.0000 1.0000 52.9622 18.0331 17.9590 S.Oliva M07 0.0105 -0.9855 incorrect 3/ 72 0.0000 1.0000 53.7090 17.8460 18.2961 Seok M04 0.0105 -0.9855 incorrect 3/ 72 0.0000 1.0000 53.7090 17.8460 18.2961 Wallner M06 0.0105 -0.9856 incorrect 2/ 72 0.0000 1.0000 61.0499 13.3739 14.6676 S.LZERD M03 0.0105 -0.9864 incorrect 0/ 72 0.0000 1.0000 53.7609 17.8633 18.5661 ZDOCK M06 0.0104 -0.9883 clashes,incorrect 93/ 72 0.0000 1.0000 53.7201 18.0778 18.0348 Wallner M08 0.0102 -0.9959 incorrect 3/ 72 0.0000 1.0000 61.0361 13.7746 14.9504 ZDOCK M08 0.0102 -0.9966 clashes,incorrect 115/ 72 0.0000 1.0000 54.2422 18.2223 18.1190 Vajda,Kozakov M05 0.0102 -0.9981 incorrect 7/ 72 0.0000 1.0000 58.4660 15.0016 15.2802 CLUSPRO M05 0.0102 -0.9981 incorrect 7/ 72 0.0000 1.0000 58.4660 15.0016 15.2802 Fernandez-Fuentes M09 0.0101 -1.0015 clashes,incorrect 76/ 72 0.0000 1.0000 57.6401 15.6668 16.8308 ZDOCK M03 0.0101 -1.0021 clashes,incorrect 76/ 72 0.0000 1.0000 54.6237 18.2806 18.1986 Wallner M05 0.0101 -1.0030 incorrect 1/ 72 0.0000 1.0000 60.7384 14.1842 15.4280 ZDOCK M04 0.0100 -1.0058 clashes,incorrect 120/ 72 0.0000 1.0000 54.9194 18.2892 18.2476 S.Moal M07 0.0100 -1.0061 incorrect 13/ 72 0.0000 1.0000 56.4667 16.8109 20.1176 S.Weng M10 0.0096 -1.0252 incorrect 13/ 72 0.0000 1.0000 58.6135 16.5298 20.0006 Moal M09 0.0095 -1.0278 incorrect 14/ 72 0.0000 1.0000 58.6635 16.6747 20.1018 Grudinin M03 0.0092 -1.0437 incorrect 1/ 72 0.0000 1.0000 60.7432 16.3838 16.6767 Vakser M06 0.0089 -1.0545 incorrect 6/ 72 0.0000 1.0000 58.0723 19.6100 20.1971 S.Moal M03 0.0085 -1.0746 incorrect 9/ 72 0.0000 1.0000 60.8160 18.8872 19.3981 Fernandez-Fuentes M07 0.0084 -1.0765 incorrect 42/ 72 0.0000 1.0000 67.8922 15.0215 15.3898 Vajda,Kozakov M10 0.0077 -1.1110 incorrect 10/ 72 0.0000 1.0000 63.2783 20.6521 20.7669 CLUSPRO M10 0.0077 -1.1110 incorrect 10/ 72 0.0000 1.0000 63.2783 20.6521 20.7669

Target: T116.1

Group Model DockQ Zscore Classification nclash fnat fnonnat lrmsd irmsdbb irmsdsc S.Huang M03 0.2310 2.7168 incorrect 22/ 90 0.6495 0.6850 44.7730 15.9801 16.8899 S.Huang M04 0.2297 2.6952 incorrect 18/ 90 0.6495 0.6753 47.0554 16.7059 17.4929 Seok M02 0.2263 2.6392 incorrect 15/ 90 0.6495 0.6667 58.3491 16.0672 16.9546 S.Chang M02 0.2263 2.6392 incorrect 15/ 90 0.6495 0.6667 58.3491 16.0672 16.9546 S.Moal M08 0.2237 2.5954 incorrect 28/ 90 0.6186 0.6129 40.6735 14.5511 16.7099 S.Vakser M02 0.2236 2.5939 incorrect 11/ 90 0.6186 0.5862 40.7311 14.6668 16.7635 Seok M05 0.2236 2.5939 incorrect 11/ 90 0.6186 0.5862 40.7311 14.6668 16.7635 S.Chang M03 0.2236 2.5939 incorrect 11/ 90 0.6186 0.5862 40.7311 14.6668 16.7635 S.Grudinin M01 0.2228 2.5820 incorrect 13/ 90 0.6392 0.6536 58.4315 16.1142 17.0073 S.Vakser M04 0.2224 2.5750 incorrect 10/ 90 0.5979 0.5672 34.0812 14.3689 16.7974 Seok M10 0.2224 2.5750 incorrect 10/ 90 0.5979 0.5672 34.0812 14.3689 16.7974 S.Vakser M01 0.2223 2.5726 incorrect 13/ 90 0.6392 0.6556 59.9341 16.8207 17.5727 Seok M07 0.2223 2.5726 incorrect 13/ 90 0.6392 0.6556 59.9341 16.8207 17.5727 S.Fernandez-Recio M02 0.2200 2.5357 incorrect 11/ 90 0.6082 0.5874 40.7904 14.7180 16.7870 S.Fernandez-Recio M03 0.2189 2.5168 incorrect 10/ 90 0.5876 0.5649 34.1388 14.4248 16.8394 S.Moal M01 0.2189 2.5167 incorrect 39/ 90 0.6289 0.6630 59.8284 16.7370 17.5198 S.Fernandez-Recio M04 0.2188 2.5158 incorrect 17/ 90 0.6289 0.6648 59.9478 16.8283 17.5909 S.Grudinin M03 0.2183 2.5066 incorrect 4/ 90 0.5876 0.5250 34.7011 14.4840 16.9222 S.LZERD M08 0.2167 2.4801 incorrect 7/ 90 0.5979 0.5944 40.7138 14.6785 16.8447 S.Weng M05 0.2167 2.4800 incorrect 4/ 90 0.5979 0.5704 40.7311 14.6668 16.7334 LZERD M10 0.2166 2.4785 incorrect 5/ 90 0.5773 0.5372 33.0690 14.6102 17.2196 Kihara M10 0.2166 2.4785 incorrect 5/ 90 0.5773 0.5372 33.0690 14.6102 17.2196 LZERD M09 0.2166 2.4785 incorrect 6/ 90 0.5773 0.5410 33.0713 14.6074 17.2418 Kihara M09 0.2166 2.4785 incorrect 6/ 90 0.5773 0.5410 33.0713 14.6074 17.2418 S.Weng M03 0.2160 2.4692 incorrect 17/ 90 0.6186 0.6721 58.3491 16.0672 17.1000 S.Bonvin M07 0.2142 2.4397 incorrect 9/ 90 0.6056 0.3676 49.9957 15.7752 17.1821 S.Grudinin M02 0.2097 2.3651 incorrect 5/ 90 0.5773 0.5692 40.8363 14.7313 16.8572 Guerois M07 0.2085 2.3451 incorrect 17/ 90 0.5361 0.5840 29.0946 14.4045 16.8998 Takeda-Shitaka M08 0.2065 2.3121 incorrect 32/ 90 0.5914 0.6626 58.8323 17.1292 17.9066 S.LZERD M07 0.2057 2.2986 incorrect 17/ 90 0.5876 0.6743 58.3434 16.0740 17.0311 LZERD M07 0.2050 2.2878 incorrect 11/ 90 0.5876 0.6323 59.7987 17.0824 17.7992 Kihara M07 0.2050 2.2878 incorrect 11/ 90 0.5876 0.6323 59.7987 17.0824 17.7992 S.Bonvin M08 0.2049 2.2853 incorrect 8/ 90 0.5775 0.3971 49.9756 15.7630 17.2197 LZERD M08 0.2016 2.2312 incorrect 14/ 90 0.5773 0.6387 59.8070 17.0776 17.8052 Kihara M08 0.2016 2.2312 incorrect 14/ 90 0.5773 0.6387 59.8070 17.0776 17.8052 Takeda-Shitaka M06 0.1992 2.1916 incorrect 40/ 90 0.5161 0.6336 30.9376 14.0451 15.3736 Venclovas M06 0.1974 2.1627 incorrect 22/ 90 0.5056 0.4643 29.6344 14.4330 16.9080 Guerois M04 0.1948 2.1193 incorrect 10/ 90 0.5567 0.6376 59.5817 16.9367 17.6413 Venclovas M09 0.1947 2.1179 incorrect 44/ 90 0.5567 0.6197 64.7057 14.5582 15.5687 Fernandez-Recio M04 0.1913 2.0615 incorrect 49/ 90 0.5464 0.7488 61.0714 16.1929 16.8918 Zacharias M06 0.1913 2.0606 incorrect 6/ 90 0.5464 0.6443 60.2141 16.8990 17.7006 Venclovas M02 0.1890 2.0241 incorrect 35/ 90 0.5393 0.6547 65.0288 14.2114 15.3558 S.Moal M03 0.1843 1.9463 incorrect 29/ 90 0.5155 0.5726 49.8076 15.5847 17.0084 Takeda-Shitaka M03 0.1843 1.9457 incorrect 22/ 90 0.5054 0.5948 43.0956 14.9065 16.6019 Venclovas M07 0.1830 1.9239 incorrect 31/ 90 0.4607 0.6496 29.2193 14.7832 15.7724 Venclovas M04 0.1825 1.9167 incorrect 28/ 90 0.4742 0.6290 32.7661 14.6737 15.7891 Venclovas M05 0.1809 1.8902 incorrect 38/ 90 0.5155 0.6815 60.5063 16.7720 17.6982 Takeda-Shitaka M04 0.1809 1.8891 incorrect 38/ 90 0.4946 0.5856 42.8658 14.8154 16.9617 S.SWARMDOCK M08 0.1808 1.8873 incorrect 12/ 90 0.5052 0.4948 49.9948 15.7739 17.1811 Guerois M08 0.1806 1.8840 incorrect 7/ 90 0.5052 0.5333 50.2466 16.0692 17.2202 S.Oliva M09 0.1773 1.8308 incorrect 10/ 90 0.4948 0.4725 50.0342 15.6240 17.0350 HADDOCK M01 0.1773 1.8307 incorrect 12/ 90 0.4948 0.5340 50.0372 15.6331 17.0598 Takeda-Shitaka M10 0.1754 1.7984 incorrect 26/ 90 0.4946 0.5741 56.2735 15.5717 16.8171 HADDOCK M02 0.1739 1.7736 incorrect 13/ 90 0.4845 0.5155 49.9766 15.7612 17.2199 HADDOCK M04 0.1734 1.7661 incorrect 8/ 90 0.4845 0.4946 51.1239 15.8886 17.2760 Zacharias M04 0.1674 1.6674 incorrect 15/ 90 0.4021 0.7194 27.1854 14.1319 15.3397 S.Vakser M07 0.1636 1.6037 incorrect 11/ 90 0.4536 0.5217 49.9435 15.7804 17.2450 S.Oliva M10 0.1636 1.6037 incorrect 11/ 90 0.4536 0.5217 49.9435 15.7804 17.2450 Venclovas M08 0.1633 1.6000 incorrect 28/ 90 0.4639 0.7152 61.3870 17.4665 18.6356 HADDOCK M03 0.1631 1.5962 incorrect 10/ 90 0.4536 0.5056 51.1190 15.8838 17.2077 Eisenstein M05 0.1593 1.5332 incorrect 33/ 90 0.4536 0.6535 63.4783 18.2882 18.7005 Zacharias M01 0.1527 1.4235 incorrect 4/ 90 0.4124 0.6190 43.8935 15.3811 16.8413 Zou M10 0.1501 1.3813 incorrect 14/ 90 0.4227 0.7153 59.8763 16.8765 17.7911 S.Grudinin M10 0.1498 1.3760 incorrect 11/ 90 0.4124 0.5294 50.1705 15.7211 17.0160 Vakser M03 0.1482 1.3499 incorrect 65/ 90 0.4021 0.8235 46.8672 14.4709 16.2765 S.Zou M04 0.1467 1.3248 incorrect 15/ 90 0.4124 0.7163 59.8712 16.8487 17.7689 S.Grudinin M05 0.1466 1.3233 incorrect 8/ 90 0.4124 0.7059 60.0461 17.0175 17.9006 Zacharias M02 0.1406 1.2244 incorrect 3/ 90 0.3814 0.6105 47.1178 15.8634 17.2684 Iwadate M03 0.1403 1.2195 incorrect 30/ 90 0.3820 0.6600 47.2186 17.2642 18.1524 Weng M04 0.1152 0.8052 clashes,incorrect 158/ 90 0.3093 0.8160 51.6345 14.9985 16.5120 Grudinin M03 0.1131 0.7705 incorrect 1/ 90 0.2990 0.4423 47.1085 15.9635 16.5765 Shen M06 0.1023 0.5916 incorrect 15/ 90 0.1959 0.8376 25.2867 15.4428 16.7731 S.Moal M06 0.1022 0.5913 incorrect 43/ 90 0.1237 0.9161 18.8020 12.9109 13.0853 S.SWARMDOCK M09 0.0929 0.4370 incorrect 33/ 90 0.1340 0.9212 21.9235 12.5979 12.7527 S.Chang M04 0.0929 0.4370 incorrect 33/ 90 0.1340 0.9212 21.9235 12.5979 12.7527 S.Venclovas M01 0.0898 0.3863 incorrect 10/ 90 0.2371 0.8000 54.4187 16.1628 17.6808 Zou M06 0.0898 0.3863 incorrect 10/ 90 0.2371 0.8000 54.4188 16.1628 17.6808 Zou M01 0.0898 0.3863 incorrect 10/ 90 0.2371 0.8000 54.4187 16.1629 17.6808 S.Venclovas M03 0.0898 0.3863 incorrect 10/ 90 0.2371 0.8000 54.4187 16.1629 17.6808 Zou M07 0.0898 0.3863 incorrect 10/ 90 0.2371 0.7982 54.4191 16.1633 17.6812 S.Venclovas M04 0.0898 0.3863 incorrect 10/ 90 0.2371 0.7982 54.4191 16.1633 17.6812 S.Huang M06 0.0898 0.3863 incorrect 14/ 90 0.2371 0.8115 54.4240 16.1696 17.6861 S.Zou M07 0.0898 0.3862 incorrect 10/ 90 0.2371 0.7946 54.4207 16.1930 17.7084 S.Zou M08 0.0898 0.3861 incorrect 10/ 90 0.2371 0.7946 54.4224 16.1932 17.7085 S.Zou M06 0.0898 0.3861 incorrect 9/ 90 0.2371 0.7946 54.4246 16.1948 17.7096 S.Fernandez-Recio M01 0.0898 0.3861 incorrect 8/ 90 0.2371 0.8017 54.4367 16.1867 17.7001 S.LZERD M06 0.0871 0.3411 incorrect 6/ 90 0.2268 0.7944 54.2391 14.5876 15.7271 S.Weng M06 0.0860 0.3236 incorrect 23/ 90 0.1134 0.9276 21.9235 12.5979 12.6614 S.Bonvin M01 0.0860 0.3226 incorrect 40/ 90 0.1831 0.8984 34.5908 11.1317 13.1531 S.Bonvin M03 0.0845 0.2990 incorrect 22/ 90 0.1831 0.8908 35.6865 11.4750 13.4649 LZERD M04 0.0843 0.2960 incorrect 8/ 90 0.2022 0.7857 41.0052 15.2044 16.4462 Kihara M04 0.0843 0.2960 incorrect 8/ 90 0.2022 0.7857 41.0052 15.2044 16.4462 LZERD M03 0.0843 0.2960 incorrect 7/ 90 0.2022 0.7857 41.0041 15.2073 16.5336 Kihara M03 0.0843 0.2960 incorrect 7/ 90 0.2022 0.7857 41.0041 15.2073 16.5336 S.Seok M01 0.0842 0.2942 incorrect 4/ 90 0.1856 0.7931 34.5560 14.8806 16.3209 S.LZERD M01 0.0839 0.2894 incorrect 6/ 90 0.1856 0.8235 34.8971 14.7529 16.1246 S.Vakser M08 0.0836 0.2844 incorrect 5/ 90 0.2165 0.8091 54.2511 14.5775 15.7170 Seok M03 0.0836 0.2844 incorrect 5/ 90 0.2165 0.8091 54.2511 14.5775 15.7170 S.Fernandez-Recio M05 0.0836 0.2844 incorrect 4/ 90 0.2165 0.8108 54.2326 14.5961 15.7247 S.Grudinin M06 0.0836 0.2831 incorrect 3/ 90 0.2165 0.8019 54.4997 14.5961 15.7472 Seok M08 0.0830 0.2742 incorrect 2/ 90 0.2165 0.7586 56.4704 14.6132 15.7940 Zou M02 0.0825 0.2659 incorrect 6/ 90 0.2165 0.8142 55.8376 16.2876 17.7997 S.Weng M07 0.0825 0.2659 incorrect 2/ 90 0.2165 0.8056 55.8376 16.2876 17.9315 S.Venclovas M02 0.0825 0.2659 incorrect 6/ 90 0.2165 0.8142 55.8376 16.2876 17.7997 Takeda-Shitaka M05 0.0808 0.2370 incorrect 9/ 90 0.2043 0.7164 50.1214 14.8868 16.3765 S.Vakser M10 0.0805 0.2331 incorrect 6/ 90 0.1753 0.8211 34.8814 14.7326 16.1345 Seok M01 0.0805 0.2331 incorrect 6/ 90 0.1753 0.8211 34.8814 14.7326 16.1344 Zou M04 0.0793 0.2125 incorrect 8/ 90 0.2062 0.8261 55.3578 16.0754 17.5609 S.Venclovas M06 0.0793 0.2125 incorrect 8/ 90 0.2062 0.8261 55.3578 16.0754 17.5609 S.SWARMDOCK M10 0.0793 0.2125 incorrect 8/ 90 0.2062 0.8261 55.3578 16.0754 17.5609 S.Chang M08 0.0793 0.2125 incorrect 8/ 90 0.2062 0.8261 55.3578 16.0754 17.5609 S.Vakser M03 0.0793 0.2125 incorrect 8/ 90 0.2062 0.8261 55.3579 16.0754 17.5609 S.Zou M10 0.0789 0.2058 incorrect 6/ 90 0.2062 0.8361 60.2665 14.2589 16.0093 Vajda,Kozakov M02 0.0787 0.2028 incorrect 20/ 90 0.1649 0.8797 35.7283 11.1976 12.7112 S.Venclovas M09 0.0786 0.2007 incorrect 3/ 90 0.2062 0.8113 60.8174 14.6671 16.3892 S.Vakser M09 0.0786 0.2007 incorrect 3/ 90 0.2062 0.8113 60.8174 14.6671 16.3892 Seok M09 0.0786 0.2007 incorrect 3/ 90 0.2062 0.8113 60.8174 14.6671 16.3892 Seok M06 0.0783 0.1957 incorrect 7/ 90 0.1649 0.8182 33.6950 14.8666 16.3301 S.Grudinin M08 0.0768 0.1717 incorrect 3/ 90 0.1649 0.8261 35.1046 14.8023 16.1915 S.SWARMDOCK M06 0.0765 0.1658 clashes,incorrect 105/ 90 0.1546 0.9096 34.6046 11.1182 13.1423 S.Vakser M06 0.0761 0.1591 clashes,incorrect 157/ 90 0.1856 0.8868 46.0738 15.2000 16.4477 Takeda-Shitaka M09 0.0759 0.1558 incorrect 19/ 90 0.1625 0.8700 37.6714 11.5412 13.4148 Fernandez-Recio M01 0.0755 0.1501 incorrect 4/ 90 0.1753 0.8023 40.9913 14.9347 16.1433 S.Vakser M05 0.0751 0.1430 clashes,incorrect 184/ 90 0.1546 0.9315 35.9334 11.1947 13.2262 S.SWARMDOCK M05 0.0751 0.1430 clashes,incorrect 184/ 90 0.1546 0.9315 35.9334 11.1947 13.2262 Guerois M02 0.0750 0.1411 incorrect 8/ 90 0.1959 0.7935 59.6493 15.6651 17.2485 S.Moal M04 0.0725 0.0997 incorrect 10/ 90 0.1856 0.8318 55.2574 16.0665 17.5168 S.Zou M02 0.0724 0.0990 incorrect 8/ 90 0.1856 0.8378 55.3675 16.0922 17.5786 S.Grudinin M07 0.0724 0.0987 incorrect 0/ 90 0.1856 0.8269 55.4147 16.1167 17.6202 S.Zou M09 0.0722 0.0956 incorrect 8/ 90 0.1856 0.8286 55.8626 16.3161 17.8195 S.Venclovas M10 0.0720 0.0925 incorrect 3/ 90 0.1856 0.8487 60.3184 14.2346 15.9833 Seok M04 0.0720 0.0925 incorrect 3/ 90 0.1856 0.8487 60.3184 14.2346 15.9833 S.Chang M10 0.0720 0.0925 incorrect 3/ 90 0.1856 0.8487 60.3184 14.2346 15.9833 S.LZERD M04 0.0720 0.0923 incorrect 8/ 90 0.1856 0.8435 60.3326 14.2490 16.0232 Shen M09 0.0720 0.0914 incorrect 23/ 90 0.1237 0.9137 28.0541 16.6309 17.7791 S.Moal M07 0.0717 0.0879 incorrect 10/ 90 0.1856 0.8333 60.6442 14.6730 16.3339 S.Zou M01 0.0717 0.0874 incorrect 6/ 90 0.1856 0.8269 60.7428 14.6877 16.3635 S.Weng M02 0.0716 0.0855 incorrect 21/ 90 0.1443 0.9157 35.6967 11.4686 13.4675 Huang M03 0.0700 0.0589 incorrect 25/ 90 0.1753 0.7571 50.5444 17.6912 18.2393 S.Fernandez-Recio M10 0.0699 0.0583 incorrect 1/ 90 0.1753 0.8090 54.5704 14.3295 16.0002 S.Seok M03 0.0698 0.0554 incorrect 4/ 90 0.0000 1.0000 16.9078 17.1782 18.8422 Zou M05 0.0697 0.0542 incorrect 4/ 90 0.1753 0.8090 52.9689 16.0299 17.5323 S.Venclovas M05 0.0697 0.0542 incorrect 4/ 90 0.1753 0.8090 52.9689 16.0299 17.5323 S.Zou M03 0.0695 0.0501 incorrect 28/ 90 0.1340 0.9244 34.5986 11.2623 13.3144 Guerois M05 0.0692 0.0467 incorrect 2/ 90 0.1753 0.7901 54.7536 15.8407 17.4105 Vakser M10 0.0691 0.0438 incorrect 13/ 90 0.1443 0.8971 38.4188 11.6763 13.3973 Grudinin M06 0.0691 0.0436 incorrect 5/ 90 0.1546 0.7945 43.3355 11.9493 13.8804 S.Gray M09 0.0689 0.0413 incorrect 24/ 90 0.1340 0.9193 34.7397 11.6661 13.6198 S.SWARMDOCK M03 0.0682 0.0288 incorrect 69/ 90 0.1340 0.9270 35.6967 11.4686 13.4611 Grudinin M09 0.0680 0.0259 incorrect 5/ 90 0.1546 0.7581 42.6652 14.1153 15.4803 Takeda-Shitaka M02 0.0679 0.0253 incorrect 19/ 90 0.1505 0.8000 39.7603 15.2107 16.6335 Eisenstein M10 0.0679 0.0239 incorrect 6/ 90 0.1753 0.7213 60.5614 15.7741 17.4373 S.Moal M10 0.0677 0.0210 incorrect 10/ 90 0.0000 1.0000 17.1547 19.4151 21.0419 S.Gray M10 0.0672 0.0125 incorrect 20/ 90 0.1340 0.9150 36.5568 11.6797 13.6327 S.LZERD M10 0.0665 0.0018 incorrect 8/ 90 0.1546 0.8315 44.7833 14.7827 16.0031 S.Huang M08 0.0658 -0.0106 incorrect 14/ 90 0.1546 0.8760 45.8765 15.3048 16.5278 Huang M10 0.0650 -0.0230 incorrect 26/ 90 0.1268 0.8784 36.4728 11.4933 13.3407 Shen M01 0.0649 -0.0242 incorrect 18/ 90 0.1134 0.9000 30.5029 15.4111 16.9433 LZERD M05 0.0647 -0.0276 incorrect 7/ 90 0.1053 0.8630 29.1029 14.6847 16.0782 Kihara M05 0.0647 -0.0276 incorrect 7/ 90 0.1053 0.8630 29.1029 14.6847 16.0782 LZERD M06 0.0647 -0.0281 incorrect 7/ 90 0.1053 0.8667 29.1206 14.6837 16.0758 Kihara M06 0.0647 -0.0281 incorrect 7/ 90 0.1053 0.8667 29.1206 14.6837 16.0758 Takeda-Shitaka M07 0.0647 -0.0281 incorrect 8/ 90 0.1628 0.7812 57.6842 14.8682 16.5277 S.Huang M05 0.0645 -0.0313 incorrect 26/ 90 0.1237 0.9286 35.9596 11.4282 13.4549 Vakser M08 0.0643 -0.0342 incorrect 7/ 90 0.0103 0.9890 18.3563 19.0421 21.0482 S.LZERD M05 0.0638 -0.0433 incorrect 6/ 90 0.1546 0.8515 52.2041 14.2655 16.1235 Huang M02 0.0633 -0.0507 incorrect 32/ 90 0.0000 1.0000 17.8842 19.7023 21.2056 Vajda,Kozakov M04 0.0630 -0.0564 incorrect 24/ 90 0.1237 0.8846 37.8900 11.2802 13.0662 S.Bonvin M06 0.0624 -0.0659 incorrect 6/ 90 0.1549 0.8514 54.4254 16.1538 17.6728 S.Zou M05 0.0624 -0.0664 incorrect 8/ 90 0.1443 0.8727 45.7238 15.3371 16.5667 Zou M08 0.0624 -0.0667 incorrect 8/ 90 0.1443 0.8750 45.7665 15.3392 16.5684 S.Gray M07 0.0617 -0.0774 incorrect 26/ 90 0.1134 0.9267 35.1327 11.5886 13.5311 Guerois M09 0.0612 -0.0855 incorrect 0/ 90 0.1546 0.7945 59.6812 15.5447 17.3508 S.Gray M06 0.0610 -0.0887 incorrect 28/ 90 0.1134 0.9272 35.8554 11.5786 13.6185 S.Gray M05 0.0610 -0.0891 incorrect 19/ 90 0.1134 0.9241 35.8239 11.6332 13.6204 Guerois M10 0.0609 -0.0911 incorrect 0/ 90 0.1546 0.7581 61.4162 15.4948 17.2111 Fernandez-Recio M09 0.0609 -0.0916 incorrect 36/ 90 0.1546 0.8529 56.8436 19.1110 19.1514 HADDOCK M07 0.0606 -0.0952 incorrect 6/ 90 0.1134 0.8952 33.9868 15.1823 16.5012 S.Huang M09 0.0601 -0.1046 incorrect 44/ 90 0.1134 0.9286 36.7339 11.7586 13.7422 Venclovas M01 0.0599 -0.1079 incorrect 24/ 90 0.1340 0.8375 43.8893 15.3393 16.7046 S.Fernandez-Recio M09 0.0596 -0.1123 incorrect 4/ 90 0.1134 0.8675 34.9391 15.2696 16.5892 Eisenstein M08 0.0595 -0.1149 incorrect 21/ 90 0.0515 0.9219 24.3521 11.0021 12.7023 S.LZERD M09 0.0594 -0.1162 incorrect 25/ 90 0.1134 0.9329 37.7759 11.5727 13.2952 Zou M03 0.0591 -0.1203 incorrect 10/ 90 0.1443 0.8293 53.9991 15.8401 17.3391 S.Venclovas M07 0.0591 -0.1203 incorrect 10/ 90 0.1443 0.8293 53.9991 15.8401 17.3391 Guerois M06 0.0589 -0.1245 incorrect 18/ 90 0.1134 0.9141 37.9143 12.0093 13.7823 Shen M04 0.0585 -0.1299 incorrect 27/ 90 0.0928 0.9280 30.2568 15.1768 16.3440 SWARMDOCK M08 0.0584 -0.1323 incorrect 19/ 90 0.1237 0.9172 44.0535 11.9143 13.8806 Grudinin M08 0.0584 -0.1331 incorrect 8/ 90 0.1443 0.8511 56.9200 15.7928 17.5430 SWARMDOCK M03 0.0581 -0.1364 incorrect 19/ 90 0.1237 0.9184 44.6073 11.8767 13.8332 Fernandez-Recio M03 0.0579 -0.1406 incorrect 3/ 90 0.1237 0.8209 41.5129 15.1181 16.3516 S.Gray M02 0.0579 -0.1407 incorrect 25/ 90 0.1031 0.9342 35.5289 11.6062 13.6386 S.Gray M01 0.0578 -0.1424 incorrect 25/ 90 0.1031 0.9355 35.6575 11.5860 13.5740 HADDOCK M10 0.0578 -0.1425 incorrect 4/ 90 0.1443 0.7667 59.2442 15.8613 17.4857 SWARMDOCK M06 0.0576 -0.1455 incorrect 24/ 90 0.1237 0.9231 45.4229 12.0472 13.9811 Huang M05 0.0574 -0.1487 incorrect 60/ 90 0.1443 0.8814 61.5156 15.5893 16.8281 Eisenstein M04 0.0574 -0.1492 incorrect 28/ 90 0.0515 0.9286 25.0281 11.3351 13.1653 Moal M05 0.0572 -0.1513 incorrect 10/ 90 0.1237 0.8333 42.9093 14.7149 15.9215 Grudinin M10 0.0570 -0.1557 incorrect 2/ 90 0.1237 0.7966 42.4837 15.9688 17.0719 S.Fernandez-Recio M08 0.0569 -0.1570 incorrect 1/ 90 0.1340 0.8725 52.2289 14.2936 16.1481 HADDOCK M09 0.0564 -0.1656 incorrect 3/ 90 0.1031 0.8684 34.7463 15.2516 16.5921 HADDOCK M08 0.0563 -0.1664 incorrect 5/ 90 0.1031 0.8780 34.8028 15.2269 16.5493 S.Bonvin M02 0.0562 -0.1692 incorrect 14/ 90 0.0986 0.9307 35.8926 11.4824 13.5077 S.Bonvin M04 0.0560 -0.1724 incorrect 5/ 90 0.0986 0.9271 35.9875 11.5956 13.6114 S.Fernandez-Recio M07 0.0559 -0.1738 incorrect 2/ 90 0.1031 0.9355 37.8157 11.5959 13.4440 Fernandez-Recio M02 0.0558 -0.1748 incorrect 2/ 90 0.1237 0.8421 45.7676 14.6131 16.1799 S.Huang M07 0.0558 -0.1751 incorrect 14/ 90 0.1031 0.9363 37.9853 11.5332 13.3603 SWARMDOCK M10 0.0555 -0.1804 incorrect 6/ 90 0.1031 0.9180 38.3769 11.5503 13.3853 SWARMDOCK M02 0.0550 -0.1890 incorrect 28/ 90 0.1134 0.9321 44.0296 11.9307 13.8560 Moal M02 0.0549 -0.1899 incorrect 17/ 90 0.1031 0.8980 36.5564 14.6837 15.9036 Chang M03 0.0547 -0.1927 incorrect 3/ 90 0.0103 0.9855 20.5532 16.8533 18.8826 S.Gray M04 0.0547 -0.1936 incorrect 26/ 90 0.0928 0.9419 35.2732 11.6256 13.6338 SWARMDOCK M04 0.0547 -0.1941 incorrect 21/ 90 0.1134 0.9281 44.4859 12.0171 14.0069 S.Gray M03 0.0547 -0.1941 incorrect 23/ 90 0.0928 0.9388 35.3247 11.6079 13.6250 Iwadate M01 0.0545 -0.1963 incorrect 27/ 90 0.1340 0.8452 58.5582 15.8074 17.4050 Grudinin M07 0.0545 -0.1966 incorrect 7/ 90 0.1340 0.7797 62.0880 14.1528 15.8078 Shen M08 0.0545 -0.1970 incorrect 20/ 90 0.1237 0.9124 47.3600 16.1698 17.4574 SWARMDOCK M05 0.0544 -0.1979 incorrect 23/ 90 0.1134 0.9262 44.9006 12.0427 13.9943 SWARMDOCK M07 0.0544 -0.1985 incorrect 17/ 90 0.1134 0.9185 45.2341 11.8947 13.8756 Guerois M01 0.0544 -0.1990 incorrect 8/ 90 0.1031 0.8864 39.4189 11.9376 13.7807 S.Gray M08 0.0543 -0.1995 incorrect 28/ 90 0.0928 0.9416 35.6767 11.5922 13.5700 S.Venclovas M08 0.0542 -0.2011 incorrect 17/ 90 0.0928 0.9427 35.8926 11.4824 13.5077 S.SWARMDOCK M01 0.0542 -0.2011 incorrect 17/ 90 0.0928 0.9427 35.8926 11.4824 13.5077 S.Chang M06 0.0542 -0.2011 incorrect 17/ 90 0.0928 0.9427 35.8926 11.4824 13.5077 Grudinin M01 0.0542 -0.2011 incorrect 17/ 90 0.0928 0.9427 35.8926 11.4824 13.5077 S.SWARMDOCK M02 0.0542 -0.2013 incorrect 6/ 90 0.0928 0.9423 35.9204 11.4669 13.4864 S.Grudinin M04 0.0540 -0.2043 incorrect 6/ 90 0.0928 0.9408 35.9830 11.5940 13.6052 S.SWARMDOCK M04 0.0540 -0.2043 incorrect 8/ 90 0.0928 0.9408 35.9875 11.5956 13.6114 S.Moal M02 0.0539 -0.2058 incorrect 34/ 90 0.0928 0.9400 35.8342 11.8506 13.8212 Gray M02 0.0538 -0.2089 incorrect 10/ 90 0.0928 0.9231 36.0207 11.8651 13.8463 Shen M02 0.0537 -0.2099 incorrect 31/ 90 0.1340 0.9078 61.4070 16.4042 17.4772 Eisenstein M03 0.0536 -0.2109 incorrect 4/ 90 0.1134 0.7708 42.6770 15.4440 16.5574 S.LZERD M02 0.0535 -0.2127 incorrect 17/ 90 0.0928 0.9371 36.2812 11.8592 13.8204 S.Grudinin M09 0.0535 -0.2136 incorrect 3/ 90 0.1237 0.8750 52.3162 14.2293 16.0730 Gray M06 0.0534 -0.2144 incorrect 8/ 90 0.0928 0.9224 36.2901 11.9664 13.9555 S.Fernandez-Recio M06 0.0534 -0.2148 incorrect 10/ 90 0.0928 0.9313 36.3471 11.9372 13.9414 Gray M05 0.0534 -0.2149 incorrect 12/ 90 0.0928 0.9291 36.3523 11.9372 13.9237 Venclovas M03 0.0533 -0.2170 incorrect 18/ 90 0.1031 0.8925 41.5377 11.5814 13.4765 S.Seok M02 0.0527 -0.2263 incorrect 5/ 90 0.1134 0.8514 45.7793 13.9840 15.4897 Weng M10 0.0525 -0.2291 incorrect 0/ 90 0.1237 0.7931 53.5245 15.4885 17.0138 S.SWARMDOCK M07 0.0525 -0.2295 incorrect 14/ 90 0.0928 0.9408 37.7747 11.5668 13.3918 LZERD M02 0.0520 -0.2374 incorrect 10/ 90 0.0928 0.9196 38.3637 11.5832 13.3928 Kihara M02 0.0520 -0.2374 incorrect 10/ 90 0.0928 0.9196 38.3637 11.5832 13.3928 LZERD M01 0.0520 -0.2376 incorrect 11/ 90 0.0928 0.9143 38.3773 11.5850 13.4139 Kihara M01 0.0520 -0.2376 incorrect 11/ 90 0.0928 0.9143 38.3773 11.5850 13.4139 S.Huang M10 0.0519 -0.2390 incorrect 18/ 90 0.0928 0.9237 38.7107 11.4054 13.3216 Vakser M01 0.0518 -0.2419 incorrect 25/ 90 0.0928 0.9256 38.8539 11.4760 13.7156 HADDOCK M06 0.0516 -0.2441 incorrect 11/ 90 0.0928 0.9174 38.9765 11.5220 13.4077 S.Chang M09 0.0516 -0.2443 incorrect 7/ 90 0.0928 0.9174 39.0171 11.5029 13.4147 SWARMDOCK M01 0.0515 -0.2463 incorrect 26/ 90 0.1031 0.9355 43.9793 12.0049 13.9494 Eisenstein M02 0.0515 -0.2466 incorrect 15/ 90 0.0928 0.8875 38.9109 11.7367 13.2569 HADDOCK M05 0.0515 -0.2467 incorrect 9/ 90 0.0928 0.8989 39.0291 11.6482 13.4948 Negi M04 0.0510 -0.2551 incorrect 15/ 90 0.0000 1.0000 21.1400 12.7250 14.5112 Zou M09 0.0509 -0.2557 incorrect 4/ 90 0.1031 0.8485 42.4183 14.1797 15.5103 S.Oliva M07 0.0509 -0.2558 incorrect 3/ 90 0.1237 0.7966 59.2092 15.8687 17.4893 S.Oliva M08 0.0509 -0.2566 incorrect 5/ 90 0.1237 0.8000 59.3563 15.9122 17.5285 Fernandez-Recio M07 0.0506 -0.2614 incorrect 0/ 90 0.1237 0.8481 57.2680 18.5698 18.6921 S.Huang M02 0.0495 -0.2788 incorrect 21/ 90 0.1031 0.9010 44.5883 14.6381 15.8538 Grudinin M04 0.0492 -0.2840 incorrect 14/ 90 0.0928 0.8966 42.2403 11.7978 13.7388 SWARMDOCK M09 0.0485 -0.2958 incorrect 13/ 90 0.0825 0.9273 38.4857 11.5959 13.4523 Shen M05 0.0478 -0.3078 incorrect 29/ 90 0.0722 0.9431 33.1453 15.4122 16.5820 Gray M04 0.0476 -0.3106 incorrect 6/ 90 0.0722 0.9307 35.4117 11.7236 13.7257 Gray M03 0.0476 -0.3109 incorrect 4/ 90 0.0722 0.9314 35.4139 11.7394 13.7346 Huang M01 0.0475 -0.3114 incorrect 23/ 90 0.0704 0.9254 35.3520 11.2107 13.0785 S.Oliva M06 0.0475 -0.3123 incorrect 6/ 90 0.0722 0.9263 35.4031 11.8507 13.8298 Guerois M03 0.0471 -0.3182 incorrect 0/ 90 0.1134 0.8036 61.6388 15.4394 17.3347 Gray M01 0.0471 -0.3193 incorrect 10/ 90 0.0722 0.9462 35.9297 11.7611 13.7493 Vakser M06 0.0462 -0.3333 incorrect 1/ 90 0.0928 0.8000 43.4891 15.6854 16.7521 Vakser M02 0.0460 -0.3369 incorrect 4/ 90 0.1031 0.8810 52.7302 15.2581 16.7187 Moal M04 0.0456 -0.3430 incorrect 14/ 90 0.0928 0.9043 45.3845 14.7727 15.9758 Zacharias M09 0.0455 -0.3453 incorrect 3/ 90 0.0619 0.9104 32.3174 15.0206 16.5490 Moal M03 0.0453 -0.3488 incorrect 22/ 90 0.0000 1.0000 22.0534 18.5378 20.2421 Iwadate M02 0.0453 -0.3492 incorrect 19/ 90 0.0722 0.9300 38.2085 11.6085 13.5850 Moal M01 0.0452 -0.3498 incorrect 17/ 90 0.0000 1.0000 22.0722 18.5362 20.2869 S.Moal M05 0.0451 -0.3523 incorrect 23/ 90 0.0000 1.0000 22.1153 18.5380 20.2396 S.Bonvin M05 0.0439 -0.3718 incorrect 8/ 90 0.0986 0.8955 54.0068 15.8288 17.3333 Shen M10 0.0439 -0.3723 incorrect 17/ 90 0.0619 0.9545 33.3284 16.0998 16.8671 Vakser M09 0.0436 -0.3766 incorrect 16/ 90 0.0722 0.9369 40.5263 11.5958 13.5903 Shen M07 0.0431 -0.3850 incorrect 29/ 90 0.1031 0.9231 62.0038 17.0028 18.2551 Shen M03 0.0429 -0.3888 incorrect 20/ 90 0.0928 0.9135 50.3629 16.6153 18.0565 Gray M08 0.0426 -0.3928 incorrect 2/ 90 0.0619 0.9178 37.4128 11.4525 13.5887 Eisenstein M09 0.0419 -0.4045 incorrect 23/ 90 0.0722 0.8871 39.5605 15.4046 16.6177 Eisenstein M01 0.0416 -0.4103 incorrect 12/ 90 0.0825 0.9012 47.9010 13.8244 15.2522 Eisenstein M06 0.0412 -0.4156 incorrect 8/ 90 0.0722 0.8056 40.5713 15.3479 16.7081 S.Oliva M05 0.0406 -0.4257 incorrect 4/ 90 0.0515 0.9375 35.3833 11.8395 13.8110 Moal M06 0.0405 -0.4272 incorrect 21/ 90 0.0000 1.0000 23.5982 18.1846 19.9268 Vajda,Kozakov M03 0.0405 -0.4276 incorrect 15/ 90 0.0619 0.9155 39.2253 12.2502 13.9126 Grudinin M05 0.0405 -0.4276 incorrect 0/ 90 0.0825 0.8519 48.0841 16.0008 17.3776 S.Kihara M02 0.0395 -0.4447 incorrect 16/ 90 0.0206 0.9860 29.7928 9.8764 11.6583 Vakser M05 0.0394 -0.4456 incorrect 7/ 90 0.0825 0.9111 51.9961 15.1345 16.6678 S.LZERD M03 0.0392 -0.4498 incorrect 17/ 90 0.0515 0.9359 37.4020 11.4503 13.5821 Takeda-Shitaka M01 0.0381 -0.4669 incorrect 11/ 90 0.0843 0.8600 60.6445 14.3473 15.8277 Vajda,Kozakov M09 0.0378 -0.4718 incorrect 14/ 90 0.0000 1.0000 24.6682 17.4312 17.8917 CLUSPRO M04 0.0378 -0.4718 incorrect 14/ 90 0.0000 1.0000 24.6682 17.4312 17.8917 S.Oliva M01 0.0369 -0.4879 incorrect 2/ 90 0.0515 0.8529 38.9284 12.7978 14.8749 Wallner M02 0.0361 -0.5002 incorrect 2/ 90 0.0722 0.8923 51.2677 15.4237 16.6487 Wallner M01 0.0361 -0.5010 incorrect 3/ 90 0.0722 0.8971 51.4245 15.4157 16.6246 S.Seok M06 0.0356 -0.5084 incorrect 5/ 90 0.0000 1.0000 25.2985 20.3686 22.2097 Negi M02 0.0355 -0.5098 incorrect 8/ 90 0.0000 1.0000 26.3592 13.3889 15.1919 Eisenstein M07 0.0350 -0.5185 incorrect 5/ 90 0.0619 0.8723 47.1186 13.8514 15.3465 DelCarpio M09 0.0350 -0.5193 incorrect 19/ 90 0.0000 1.0000 25.5652 20.5054 21.4973 Zacharias M10 0.0341 -0.5331 incorrect 14/ 90 0.0309 0.9727 35.3334 11.4978 13.1050 Negi M06 0.0339 -0.5361 incorrect 44/ 90 0.0412 0.9259 39.3109 11.7877 13.6301 Zacharias M07 0.0336 -0.5420 incorrect 0/ 90 0.0412 0.9412 37.4437 14.5426 15.8585 Zacharias M03 0.0323 -0.5639 incorrect 8/ 90 0.0000 1.0000 26.5842 23.6662 24.9524 Huang M09 0.0318 -0.5716 incorrect 38/ 90 0.0563 0.9592 45.8361 19.6410 21.1890 Wallner M03 0.0312 -0.5813 incorrect 6/ 90 0.0206 0.9697 35.7539 10.6374 12.2160 Wallner M04 0.0311 -0.5824 incorrect 4/ 90 0.0206 0.9697 35.8078 10.6501 12.2447 S.Seok M07 0.0304 -0.5951 incorrect 11/ 90 0.0000 1.0000 30.1350 11.2806 12.6899 Weng M08 0.0296 -0.6072 incorrect 15/ 90 0.0206 0.9765 32.7356 20.9281 22.5330 Chang M06 0.0295 -0.6097 incorrect 8/ 90 0.0000 1.0000 28.1404 21.5603 21.8336 Gray M09 0.0287 -0.6221 incorrect 2/ 90 0.0206 0.9565 36.1008 13.0473 14.8616 S.Oliva M03 0.0287 -0.6223 incorrect 4/ 90 0.0206 0.9512 36.3385 12.7429 14.5878 S.Oliva M02 0.0286 -0.6238 incorrect 4/ 90 0.0206 0.9487 36.3971 12.7970 14.6383 S.Oliva M04 0.0286 -0.6238 incorrect 2/ 90 0.0206 0.9512 36.4158 12.7771 14.6075 Gray M07 0.0284 -0.6270 incorrect 8/ 90 0.0206 0.9692 36.2825 13.2474 15.0554 Gray M10 0.0284 -0.6282 incorrect 4/ 90 0.0206 0.9623 36.4571 13.1167 14.9588 Huang M07 0.0279 -0.6352 incorrect 15/ 90 0.0515 0.9020 52.9026 17.7065 18.3554 S.Seok M05 0.0268 -0.6533 incorrect 5/ 90 0.0000 1.0000 30.0015 18.9932 20.2294 ZDOCK M01 0.0267 -0.6556 clashes,incorrect 154/ 90 0.0619 0.9469 67.6193 29.1965 30.0554 Weng M01 0.0267 -0.6556 incorrect 65/ 90 0.0619 0.9450 67.6193 29.1965 30.0549 Grudinin M02 0.0266 -0.6571 incorrect 2/ 90 0.0103 0.9897 35.2474 12.3424 13.6886 Fernandez-Recio M10 0.0264 -0.6602 incorrect 4/ 90 0.0619 0.9286 69.4259 29.5106 30.0289 Wallner M06 0.0263 -0.6626 incorrect 1/ 90 0.0309 0.9318 40.1092 21.2917 22.2542 Wallner M05 0.0262 -0.6639 incorrect 0/ 90 0.0309 0.9318 40.2338 21.2602 22.2273 Vajda,Kozakov M05 0.0249 -0.6848 incorrect 10/ 90 0.0103 0.9867 33.4872 23.8456 25.6899 Ritchie M09 0.0248 -0.6877 incorrect 15/ 90 0.0000 1.0000 31.8638 16.8958 18.1923 Vajda,Kozakov M07 0.0244 -0.6938 incorrect 13/ 90 0.0000 1.0000 32.0037 17.5476 18.3237 CLUSPRO M02 0.0244 -0.6938 incorrect 13/ 90 0.0000 1.0000 32.0037 17.5476 18.3237 GRAMM-X M03 0.0238 -0.7039 incorrect 14/ 90 0.0000 1.0000 32.3961 18.0126 19.2594 S.Kihara M06 0.0236 -0.7069 incorrect 3/ 90 0.0000 1.0000 32.8614 16.6527 18.1549 Weng M05 0.0231 -0.7143 incorrect 81/ 90 0.0000 1.0000 32.3912 21.1792 21.8008 Zacharias M08 0.0229 -0.7174 incorrect 5/ 90 0.0412 0.9640 56.8693 19.6540 20.9493 Fernandez-Fuentes M06 0.0229 -0.7186 incorrect 66/ 90 0.0000 1.0000 33.4600 16.6935 17.6804 Zacharias M05 0.0225 -0.7248 incorrect 7/ 90 0.0309 0.9483 51.7714 14.6619 16.4190 Fernandez-Fuentes M05 0.0217 -0.7375 clashes,incorrect 146/ 90 0.0000 1.0000 33.5330 21.5264 21.8148 S.Kihara M10 0.0216 -0.7397 incorrect 10/ 90 0.0000 1.0000 33.3365 24.4600 25.7856 S.Chang M07 0.0215 -0.7418 incorrect 33/ 90 0.0000 1.0000 33.4058 24.9161 26.1514 GRAMM-X M01 0.0210 -0.7502 incorrect 26/ 90 0.0206 0.9773 44.0025 18.8276 20.7216 Ritchie M05 0.0207 -0.7546 incorrect 26/ 90 0.0000 1.0000 34.4588 21.7704 22.3091 GRAMM-X M05 0.0206 -0.7561 incorrect 28/ 90 0.0206 0.9726 45.1448 17.8968 19.8285 Wallner M08 0.0203 -0.7608 incorrect 2/ 90 0.0103 0.9825 40.6428 15.9565 17.0472 Wallner M07 0.0203 -0.7614 incorrect 2/ 90 0.0103 0.9825 40.7064 15.9519 17.0441 S.Kihara M04 0.0198 -0.7700 incorrect 19/ 90 0.0000 1.0000 35.4423 21.3657 21.5797 Weng M09 0.0197 -0.7704 incorrect 12/ 90 0.0206 0.9623 48.8199 15.5701 16.7206 DelCarpio M05 0.0197 -0.7707 incorrect 13/ 90 0.0000 1.0000 35.2406 23.1280 23.9434 S.Bonvin M09 0.0196 -0.7727 incorrect 41/ 90 0.0282 0.9839 54.2915 18.3004 19.7039 Negi M01 0.0194 -0.7768 incorrect 15/ 90 0.0000 1.0000 35.7475 22.1902 22.8958 Chang M08 0.0192 -0.7794 incorrect 4/ 90 0.0000 1.0000 36.8801 17.6866 18.8190 DelCarpio M10 0.0190 -0.7820 clashes,incorrect 621/ 90 0.0000 1.0000 36.6114 19.3600 20.7019 DelCarpio M01 0.0190 -0.7820 clashes,incorrect 621/ 90 0.0000 1.0000 36.6114 19.3600 20.7019 Ritchie M10 0.0189 -0.7844 incorrect 18/ 90 0.0000 1.0000 36.1373 22.9437 23.5153 Negi M05 0.0188 -0.7867 incorrect 17/ 90 0.0103 0.9787 41.3192 20.4475 22.3671 DelCarpio M02 0.0185 -0.7903 incorrect 39/ 90 0.0000 1.0000 37.1884 19.3817 20.6134 GRAMM-X M02 0.0185 -0.7910 incorrect 31/ 90 0.0000 1.0000 36.5145 23.4834 24.2951 Ritchie M03 0.0178 -0.8025 incorrect 7/ 90 0.0309 0.9589 60.0289 28.1861 28.8476 Chang M07 0.0176 -0.8057 incorrect 8/ 90 0.0000 1.0000 38.7538 17.9809 19.1529 S.Kihara M03 0.0174 -0.8098 incorrect 12/ 90 0.0000 1.0000 37.8380 23.6010 23.9258 Chang M10 0.0171 -0.8144 incorrect 0/ 90 0.0000 1.0000 39.1909 18.8580 19.6518 Ritchie M02 0.0166 -0.8214 incorrect 3/ 90 0.0309 0.9630 68.1521 24.5205 25.4730 Venclovas M10 0.0163 -0.8266 incorrect 41/ 90 0.0000 1.0000 43.0433 13.9264 15.7558 Iwadate M04 0.0150 -0.8490 incorrect 13/ 90 0.0000 1.0000 44.3765 15.2766 17.2794 Chang M05 0.0147 -0.8536 incorrect 12/ 90 0.0103 0.9792 50.4384 19.0092 20.3260 Fernandez-Fuentes M10 0.0146 -0.8551 clashes,incorrect 92/ 90 0.0206 0.9770 58.8973 28.1952 28.5868 Moal M08 0.0144 -0.8583 incorrect 9/ 90 0.0103 0.9853 49.1344 24.0379 24.7455 Ritchie M06 0.0143 -0.8605 incorrect 14/ 90 0.0000 1.0000 42.0867 24.7950 26.1256 Ritchie M01 0.0143 -0.8605 incorrect 14/ 90 0.0000 1.0000 42.0867 24.7950 26.1256 DelCarpio M03 0.0141 -0.8636 incorrect 26/ 90 0.0103 0.9913 50.9940 21.2896 22.5881 Huang M06 0.0140 -0.8650 incorrect 49/ 90 0.0000 1.0000 43.2626 21.4756 22.6003 CLUSPRO M06 0.0139 -0.8676 incorrect 10/ 90 0.0000 1.0000 44.1526 19.6146 20.3113 S.Weng M01 0.0137 -0.8703 incorrect 29/ 90 0.0206 0.9910 64.6746 25.4081 26.6257 S.Chang M01 0.0137 -0.8703 incorrect 45/ 90 0.0206 0.9916 64.6746 25.4081 26.4737 S.Huang M01 0.0136 -0.8714 incorrect 49/ 90 0.0206 0.9910 65.0747 25.3423 26.4101 S.Seok M04 0.0135 -0.8739 incorrect 7/ 90 0.0103 0.9902 54.7617 18.4216 19.6892 ZDOCK M06 0.0128 -0.8851 clashes,incorrect 161/ 90 0.0206 0.9775 68.2007 30.1218 31.0380 ZDOCK M10 0.0127 -0.8870 clashes,incorrect 145/ 90 0.0206 0.9775 68.8425 30.5523 31.4584 ZDOCK M05 0.0126 -0.8889 clashes,incorrect 97/ 90 0.0206 0.9759 69.4765 31.0743 31.9588 ZDOCK M03 0.0125 -0.8894 clashes,incorrect 141/ 90 0.0206 0.9800 69.4930 31.6189 32.4777 Vajda,Kozakov M08 0.0125 -0.8907 incorrect 3/ 90 0.0000 1.0000 45.9848 22.7799 23.1103 CLUSPRO M03 0.0125 -0.8907 incorrect 3/ 90 0.0000 1.0000 45.9848 22.7799 23.1103 Ritchie M07 0.0124 -0.8922 incorrect 4/ 90 0.0206 0.9649 71.1992 30.4047 30.4991 S.Seok M08 0.0123 -0.8931 incorrect 10/ 90 0.0206 0.9835 71.7368 30.1430 31.0314 Negi M03 0.0123 -0.8937 incorrect 9/ 90 0.0000 1.0000 47.8824 18.9027 20.2549 Chang M09 0.0120 -0.8989 incorrect 9/ 90 0.0000 1.0000 49.9910 16.9553 18.6633 CLUSPRO M07 0.0114 -0.9081 incorrect 6/ 90 0.0000 1.0000 48.3588 23.0516 23.4236 Wallner M09 0.0113 -0.9092 incorrect 0/ 90 0.0000 1.0000 48.2113 24.1387 24.9949 ZDOCK M09 0.0108 -0.9181 clashes,incorrect 194/ 90 0.0000 1.0000 49.8746 23.2254 24.5462 Weng M06 0.0108 -0.9186 incorrect 40/ 90 0.0000 1.0000 50.5243 21.7126 22.9239 CLUSPRO M10 0.0105 -0.9232 incorrect 15/ 90 0.0000 1.0000 50.6915 23.3910 23.7262 ZDOCK M07 0.0104 -0.9239 clashes,incorrect 296/ 90 0.0000 1.0000 51.4359 21.7326 23.0830 Weng M03 0.0104 -0.9239 clashes,incorrect 105/ 90 0.0000 1.0000 51.4359 21.7326 22.9916 Wallner M10 0.0104 -0.9242 incorrect 1/ 90 0.0000 1.0000 50.5752 24.3353 25.1887 S.Seok M09 0.0104 -0.9248 incorrect 2/ 90 0.0000 1.0000 52.4156 20.1227 21.8662 S.Weng M04 0.0102 -0.9271 incorrect 17/ 90 0.0000 1.0000 51.3394 23.5273 24.3424 Fernandez-Fuentes M09 0.0099 -0.9328 clashes,incorrect 116/ 90 0.0000 1.0000 53.8115 20.4218 22.0623 GRAMM-X M04 0.0096 -0.9383 incorrect 30/ 90 0.0000 1.0000 54.6160 21.0475 22.0781 Iwadate M05 0.0095 -0.9389 incorrect 5/ 90 0.0000 1.0000 59.1181 16.3550 17.2065 Negi M07 0.0093 -0.9423 incorrect 33/ 90 0.0000 1.0000 54.5651 22.8813 23.2690 Fernandez-Fuentes M07 0.0092 -0.9448 incorrect 51/ 90 0.0000 1.0000 54.8842 23.3787 24.0636 S.Seok M10 0.0087 -0.9531 incorrect 10/ 90 0.0000 1.0000 64.1561 15.9482 17.4060 S.Kihara M01 0.0084 -0.9572 incorrect 17/ 90 0.0000 1.0000 56.1781 27.8982 28.5870 Fernandez-Fuentes M08 0.0082 -0.9610 incorrect 65/ 90 0.0000 1.0000 57.0166 28.1777 28.7000 Ritchie M08 0.0081 -0.9627 incorrect 10/ 90 0.0000 1.0000 63.2623 18.4851 19.6338 Fernandez-Fuentes M03 0.0081 -0.9629 clashes,incorrect 99/ 90 0.0000 1.0000 62.0840 19.5912 20.9361 GRAMM-X M10 0.0080 -0.9647 incorrect 15/ 90 0.0000 1.0000 57.5943 29.4836 30.0080 Negi M08 0.0078 -0.9678 incorrect 10/ 90 0.0000 1.0000 60.4421 23.8191 25.1674 S.Weng M10 0.0077 -0.9686 incorrect 10/ 90 0.0000 1.0000 63.1876 20.3347 20.8964 Weng M07 0.0076 -0.9712 incorrect 51/ 90 0.0000 1.0000 69.1755 16.8671 18.0176 GRAMM-X M08 0.0076 -0.9714 incorrect 23/ 90 0.0000 1.0000 62.2098 22.6538 22.9459 Fernandez-Recio M05 0.0074 -0.9741 incorrect 6/ 90 0.0000 1.0000 60.6892 27.5556 28.2082 Huang M08 0.0072 -0.9769 incorrect 40/ 90 0.0000 1.0000 59.8717 34.0788 34.0826 S.Kihara M08 0.0071 -0.9796 incorrect 22/ 90 0.0000 1.0000 65.2502 22.2963 23.8769 Huang M04 0.0071 -0.9797 incorrect 40/ 90 0.0000 1.0000 60.6423 34.2464 34.2521 Fernandez-Fuentes M02 0.0069 -0.9824 incorrect 55/ 90 0.0000 1.0000 62.3996 30.0982 30.5991 Chang M04 0.0069 -0.9828 incorrect 5/ 90 0.0000 1.0000 63.3922 27.5759 27.9362 Moal M10 0.0068 -0.9846 incorrect 32/ 90 0.0000 1.0000 65.1977 25.0620 25.3975 ZDOCK M04 0.0067 -0.9850 clashes,incorrect 126/ 90 0.0000 1.0000 62.6115 32.5462 33.1543 S.Weng M08 0.0066 -0.9869 incorrect 23/ 90 0.0000 1.0000 65.8120 25.4615 25.9481 Negi M09 0.0065 -0.9883 incorrect 24/ 90 0.0000 1.0000 65.6804 26.7338 27.4662 DelCarpio M08 0.0065 -0.9883 incorrect 31/ 90 0.0000 1.0000 68.9848 21.9397 22.8894 CLUSPRO M09 0.0065 -0.9886 incorrect 27/ 90 0.0000 1.0000 65.6116 27.1309 27.8635 Vakser M07 0.0064 -0.9910 incorrect 28/ 90 0.0000 1.0000 66.4420 27.2403 27.7069 Vajda,Kozakov M06 0.0063 -0.9922 incorrect 30/ 90 0.0000 1.0000 66.7297 27.6134 28.1764 CLUSPRO M01 0.0063 -0.9922 incorrect 30/ 90 0.0000 1.0000 66.7297 27.6134 28.1764 Vajda,Kozakov M01 0.0062 -0.9932 incorrect 16/ 90 0.0000 1.0000 67.3154 27.2401 27.7354 Vakser M04 0.0061 -0.9956 incorrect 10/ 90 0.0000 1.0000 68.0191 27.7929 28.3589 Fernandez-Fuentes M04 0.0059 -0.9981 incorrect 47/ 90 0.0000 1.0000 71.3788 24.1058 25.1883 Ritchie M04 0.0059 -0.9989 incorrect 9/ 90 0.0000 1.0000 68.6651 29.3802 30.0621 DelCarpio M06 0.0058 -1.0012 incorrect 24/ 90 0.0000 1.0000 71.8075 25.4973 26.2049 DelCarpio M07 0.0058 -1.0013 incorrect 24/ 90 0.0000 1.0000 71.8273 25.5000 26.2074 ZDOCK M08 0.0056 -1.0043 clashes,incorrect 219/ 90 0.0000 1.0000 71.1659 29.1559 28.6919 CLUSPRO M08 0.0055 -1.0047 incorrect 8/ 90 0.0000 1.0000 71.1850 29.5655 29.8723 ZDOCK M02 0.0055 -1.0050 clashes,incorrect 245/ 90 0.0000 1.0000 71.2325 29.7589 29.2864 Weng M02 0.0055 -1.0050 clashes,incorrect 126/ 90 0.0000 1.0000 71.2325 29.7590 29.5107 GRAMM-X M06 0.0055 -1.0054 incorrect 10/ 90 0.0000 1.0000 69.3626 36.1934 36.8595 GRAMM-X M07 0.0054 -1.0070 incorrect 19/ 90 0.0000 1.0000 71.7521 30.7425 31.1034 S.Bonvin M10 0.0054 -1.0078 incorrect 21/ 90 0.0000 1.0000 72.4568 30.0067 29.5195 S.Moal M09 0.0053 -1.0082 incorrect 28/ 90 0.0000 1.0000 72.8326 29.6355 30.4396 Vajda,Kozakov M10 0.0053 -1.0083 incorrect 17/ 90 0.0000 1.0000 72.4305 30.6408 31.0650 CLUSPRO M05 0.0053 -1.0083 incorrect 17/ 90 0.0000 1.0000 72.4305 30.6408 31.0650 S.Weng M09 0.0053 -1.0086 incorrect 19/ 90 0.0000 1.0000 72.9568 29.8000 30.7568 S.Kihara M05 0.0053 -1.0086 incorrect 15/ 90 0.0000 1.0000 72.9568 29.8000 30.7357 S.Chang M05 0.0053 -1.0086 incorrect 28/ 90 0.0000 1.0000 72.9568 29.8000 30.6755 Moal M09 0.0053 -1.0086 incorrect 28/ 90 0.0000 1.0000 72.9568 29.8000 30.6755 Fernandez-Fuentes M01 0.0052 -1.0104 incorrect 55/ 90 0.0000 1.0000 74.8540 28.0006 28.5294 GRAMM-X M09 0.0051 -1.0113 incorrect 23/ 90 0.0000 1.0000 71.9801 36.6121 37.2063 S.Kihara M07 0.0049 -1.0148 incorrect 0/ 90 0.0000 1.0000 75.3256 31.7599 31.9156 Chang M01 0.0048 -1.0177 incorrect 12/ 90 0.0000 1.0000 74.7133 38.7958 39.3746 S.Kihara M09 0.0047 -1.0179 incorrect 19/ 90 0.0000 1.0000 75.8736 35.0008 35.5172 Chang M02 0.0046 -1.0199 incorrect 13/ 90 0.0000 1.0000 76.3520 37.0979 37.6469 Fernandez-Recio M08 0.0044 -1.0244 incorrect 2/ 90 0.0000 1.0000 79.5233 35.6987 36.6788 Negi M10 0.0042 -1.0264 incorrect 15/ 90 0.0000 1.0000 81.3046 34.5127 34.7009 DelCarpio M04 0.0042 -1.0265 incorrect 19/ 90 0.0000 1.0000 79.9417 38.8924 39.6430 Moal M07 0.0042 -1.0272 incorrect 20/ 90 0.0000 1.0000 77.1416 64.3011 66.7098 Fernandez-Recio M06 0.0042 -1.0277 incorrect 4/ 90 0.0000 1.0000 81.1426 37.5176 38.5227

Target: T117.1

Group Model DockQ Zscore Classification nclash fnat fnonnat lrmsd irmsdbb irmsdsc Kihara M05 0.3298 6.7210 acceptable 9/ 51 0.3111 0.5333 11.1329 2.2384 3.0816 Kihara M08 0.3297 6.7198 acceptable 7/ 51 0.3111 0.4815 11.1238 2.2413 2.9716 Kihara M01 0.3295 6.7153 acceptable 9/ 51 0.3111 0.5333 11.1296 2.2433 2.9492 S.Fernandez-Recio M01 0.3238 6.5938 acceptable 12/ 51 0.3111 0.8391 7.8609 4.0374 4.8140 Kihara M03 0.3217 6.5493 acceptable 8/ 51 0.2889 0.5357 11.1405 2.2468 2.9823 Kihara M09 0.3151 6.4075 acceptable 11/ 51 0.2667 0.6250 11.1214 2.2389 2.9739 S.Fernandez-Recio M04 0.2792 5.6407 acceptable 2/ 51 0.2889 0.7797 9.2867 4.6895 5.4496 S.Moal M06 0.2584 5.1964 acceptable 10/ 51 0.2444 0.8493 9.6456 4.6662 5.2615 Ritchie M01 0.1695 3.2966 incorrect 21/ 51 0.1333 0.9286 12.5179 5.9616 6.6184 Vakser M03 0.0590 0.9364 incorrect 0/ 51 0.0000 nan 21.0140 7.7177 8.2933 Vakser M04 0.0589 0.9339 incorrect 0/ 51 0.0000 nan 21.0552 7.7042 8.2905 Vakser M09 0.0582 0.9184 incorrect 0/ 51 0.0000 nan 21.2547 7.6951 8.3050 Vakser M02 0.0580 0.9156 incorrect 0/ 51 0.0000 nan 21.2601 7.7316 8.2892 Vakser M01 0.0579 0.9133 incorrect 0/ 51 0.0000 nan 21.2619 7.7660 8.2823 Vakser M06 0.0576 0.9072 incorrect 0/ 51 0.0000 nan 21.3040 7.8097 8.5944 Vakser M05 0.0575 0.9044 incorrect 0/ 51 0.0000 nan 21.3405 7.8085 8.5557 Vakser M08 0.0559 0.8710 incorrect 0/ 51 0.0000 nan 21.7615 7.8238 8.4652 Vakser M07 0.0559 0.8692 incorrect 0/ 51 0.0000 nan 21.7375 7.8829 8.4506 Fernandez-Recio M06 0.0547 0.8449 incorrect 12/ 51 0.0444 0.9792 28.3372 7.6298 8.2281 Kihara M06 0.0227 0.1610 incorrect 5/ 51 0.0000 1.0000 34.1650 15.0477 15.6322 Kihara M07 0.0227 0.1608 incorrect 8/ 51 0.0000 1.0000 34.1708 15.0513 15.5349 S.Seok M06 0.0225 0.1563 incorrect 5/ 51 0.0000 1.0000 33.6586 17.2281 18.2243 Zou M09 0.0220 0.1451 incorrect 13/ 51 0.0000 1.0000 38.3900 10.7315 11.4803 S.Grudinin M08 0.0218 0.1408 incorrect 4/ 51 0.0000 1.0000 38.5948 10.7683 11.4881 S.Oliva M08 0.0216 0.1382 incorrect 28/ 51 0.0222 0.9836 45.0039 16.4148 17.8814 Eisenstein M04 0.0215 0.1356 incorrect 8/ 51 0.0222 0.9722 44.6285 17.4250 18.9786 S.Kihara M07 0.0212 0.1294 incorrect 0/ 51 0.0000 nan 35.0762 16.4645 17.2219 Seok M06 0.0208 0.1208 incorrect 9/ 51 0.0000 1.0000 39.7901 10.8254 11.4607 Seok M07 0.0195 0.0931 incorrect 9/ 51 0.0000 1.0000 36.4198 17.9439 18.4144 Fernandez-Recio M09 0.0195 0.0919 incorrect 2/ 51 0.0000 1.0000 41.3381 11.1234 12.0482 S.Zou M05 0.0188 0.0778 incorrect 7/ 51 0.0000 1.0000 43.6116 10.5408 11.2474 Iwadate M02 0.0178 0.0558 incorrect 7/ 51 0.0238 0.9630 58.8971 15.6077 16.7564 Guerois M04 0.0178 0.0552 incorrect 10/ 51 0.0000 1.0000 41.8658 12.7318 13.1980 Fernandez-Recio M10 0.0174 0.0468 incorrect 10/ 51 0.0000 1.0000 46.3804 10.6109 11.5130 S.Oliva M05 0.0170 0.0385 incorrect 26/ 51 0.0000 1.0000 45.5628 11.3066 11.9648 Seok M09 0.0164 0.0259 incorrect 12/ 51 0.0000 1.0000 41.1407 16.4768 17.6615 Fernandez-Recio M07 0.0147 -0.0099 incorrect 12/ 51 0.0000 1.0000 50.4543 11.5703 12.4562 Wallner M09 0.0146 -0.0122 incorrect 3/ 51 0.0000 1.0000 47.3530 13.2826 14.2061 S.Gray M10 0.0140 -0.0251 incorrect 0/ 51 0.0000 nan 44.8935 17.3809 18.9955 HADDOCK M09 0.0136 -0.0332 incorrect 15/ 51 0.0000 1.0000 49.0836 13.7585 14.3900 Seok M02 0.0130 -0.0470 incorrect 0/ 51 0.0000 nan 46.6883 18.0692 19.2910 Kihara M02 0.0126 -0.0553 incorrect 6/ 51 0.0000 1.0000 47.1840 18.8003 19.7866 Kihara M10 0.0126 -0.0554 incorrect 6/ 51 0.0000 1.0000 47.1872 18.8076 19.8024 Kihara M04 0.0126 -0.0556 incorrect 4/ 51 0.0000 1.0000 47.2117 18.8012 19.8623 Fernandez-Recio M08 0.0123 -0.0610 incorrect 10/ 51 0.0000 1.0000 56.3280 12.2831 13.0677 S.Huang M05 0.0121 -0.0659 incorrect 2/ 51 0.0000 1.0000 51.5598 15.0712 15.7343 S.Oliva M04 0.0119 -0.0702 incorrect 37/ 51 0.0000 1.0000 52.8941 14.5639 15.1660 Vajda,Kozakov M03 0.0119 -0.0705 incorrect 16/ 51 0.0000 1.0000 55.6652 13.1518 14.0239 CLUSPRO M03 0.0119 -0.0705 incorrect 16/ 51 0.0000 1.0000 55.6652 13.1518 14.0239 S.Oliva M06 0.0117 -0.0752 incorrect 33/ 51 0.0000 1.0000 56.5829 13.1218 13.8462 S.SWARMDOCK M08 0.0116 -0.0754 incorrect 12/ 51 0.0000 1.0000 47.7747 22.9425 23.9601 Ritchie M05 0.0109 -0.0910 incorrect 1/ 51 0.0000 1.0000 54.6888 15.6006 16.3868 Ritchie M10 0.0108 -0.0933 incorrect 4/ 51 0.0000 1.0000 55.9812 15.0124 15.7186 S.Fernandez-Recio M05 0.0107 -0.0955 incorrect 2/ 51 0.0000 1.0000 54.8964 16.0059 16.5307 HADDOCK M03 0.0106 -0.0981 incorrect 0/ 51 0.0000 1.0000 51.7224 20.2599 21.0241 S.Zou M09 0.0105 -0.1004 incorrect 0/ 51 0.0000 nan 51.9648 20.4098 20.6677 Moal M06 0.0105 -0.1004 incorrect 0/ 51 0.0000 nan 51.9648 20.4098 20.6677 Ritchie M06 0.0103 -0.1033 incorrect 38/ 51 0.0000 1.0000 58.6392 14.6081 15.7192 Shen M04 0.0101 -0.1086 incorrect 0/ 51 0.0000 nan 53.1044 20.5692 21.0079 Chang M02 0.0099 -0.1121 incorrect 4/ 51 0.0000 1.0000 55.7650 17.7670 18.6631 Ritchie M07 0.0099 -0.1137 incorrect 25/ 51 0.0000 1.0000 59.9420 15.0478 16.1432 Zou M07 0.0097 -0.1161 incorrect 0/ 51 0.0000 nan 55.6244 18.6764 19.4113 S.Zou M07 0.0097 -0.1161 incorrect 0/ 51 0.0000 nan 55.6244 18.6764 19.4113 Vajda,Kozakov M09 0.0097 -0.1170 incorrect 0/ 51 0.0000 1.0000 51.8896 27.5210 28.5873 CLUSPRO M09 0.0097 -0.1170 incorrect 0/ 51 0.0000 1.0000 51.8896 27.5211 28.5873 S.Oliva M10 0.0097 -0.1171 clashes,incorrect 58/ 51 0.0000 1.0000 53.8562 21.6435 22.4041 S.Grudinin M04 0.0097 -0.1171 incorrect 0/ 51 0.0000 nan 55.7611 18.7359 19.4696 S.SWARMDOCK M01 0.0097 -0.1174 incorrect 37/ 51 0.0000 1.0000 57.1659 17.3637 17.8048 S.Kihara M02 0.0096 -0.1182 incorrect 32/ 51 0.0000 1.0000 57.2210 17.4511 17.9681 SWARMDOCK M08 0.0096 -0.1182 incorrect 37/ 51 0.0000 1.0000 57.2212 17.4561 17.8989 SWARMDOCK M03 0.0096 -0.1185 incorrect 36/ 51 0.0000 1.0000 57.2253 17.4968 17.9025 SWARMDOCK M05 0.0096 -0.1188 incorrect 36/ 51 0.0000 1.0000 57.2978 17.4789 17.9406 S.Fernandez-Recio M07 0.0095 -0.1205 incorrect 0/ 51 0.0000 nan 54.5103 21.4505 21.6645 Zou M10 0.0095 -0.1208 incorrect 26/ 51 0.0000 1.0000 61.9026 14.8801 15.7403 S.Oliva M07 0.0095 -0.1208 incorrect 26/ 51 0.0000 1.0000 61.9026 14.8801 15.7403 S.Grudinin M06 0.0095 -0.1213 incorrect 7/ 51 0.0000 1.0000 61.9897 14.9013 15.7763 S.Grudinin M10 0.0095 -0.1215 incorrect 13/ 51 0.0000 1.0000 57.6126 17.6734 18.0677 S.Zou M04 0.0094 -0.1229 incorrect 34/ 51 0.0000 1.0000 62.2550 14.9480 15.8352 S.Venclovas M04 0.0094 -0.1233 clashes,incorrect 72/ 51 0.0000 1.0000 56.3854 19.3299 19.8186 S.Seok M04 0.0089 -0.1350 incorrect 0/ 51 0.0000 nan 58.9563 18.9867 19.8766 Shen M06 0.0085 -0.1417 incorrect 0/ 51 0.0000 nan 56.2625 26.0126 26.6374 Chang M06 0.0085 -0.1429 incorrect 11/ 51 0.0000 1.0000 58.6188 21.4613 22.1653 Vakser M10 0.0084 -0.1441 incorrect 12/ 51 0.0000 1.0000 59.3163 20.8262 21.3549 S.Moal M10 0.0083 -0.1462 incorrect 0/ 51 0.0000 1.0000 57.2333 25.6136 25.8385 S.Huang M04 0.0083 -0.1464 incorrect 0/ 51 0.0000 1.0000 57.2598 25.6584 25.8918 Moal M10 0.0083 -0.1464 incorrect 0/ 51 0.0000 1.0000 57.2599 25.6585 25.8918 S.Kihara M03 0.0083 -0.1471 incorrect 16/ 51 0.0000 1.0000 61.0099 19.5990 20.4239 Weng M02 0.0082 -0.1490 clashes,incorrect 103/ 51 0.0000 1.0000 59.6216 21.8772 22.9129 Weng M07 0.0081 -0.1505 incorrect 5/ 51 0.0000 1.0000 59.7597 22.1689 23.2583 S.Bonvin M10 0.0081 -0.1508 incorrect 1/ 51 0.0000 1.0000 58.1879 25.4785 27.0338 HADDOCK M05 0.0081 -0.1508 incorrect 1/ 51 0.0000 1.0000 58.1903 25.4764 27.0352 Weng M05 0.0081 -0.1516 clashes,incorrect 61/ 51 0.0000 1.0000 57.8473 26.9143 27.8959 Shen M07 0.0080 -0.1524 incorrect 3/ 51 0.0000 1.0000 57.7016 27.8599 28.9285 Eisenstein M07 0.0078 -0.1577 incorrect 0/ 51 0.0000 1.0000 70.7987 15.5937 15.9214 HADDOCK M04 0.0077 -0.1588 incorrect 1/ 51 0.0000 1.0000 60.0309 25.0714 26.1233 Seok M04 0.0077 -0.1598 incorrect 0/ 51 0.0000 nan 60.6484 24.2020 24.9468 S.Weng M10 0.0075 -0.1637 incorrect 11/ 51 0.0000 1.0000 65.2860 19.5142 20.5150 S.Bonvin M06 0.0075 -0.1645 incorrect 2/ 51 0.0000 1.0000 61.0497 25.6559 26.5221 S.Fernandez-Recio M08 0.0074 -0.1651 incorrect 1/ 51 0.0000 1.0000 60.4452 27.5754 27.7711 S.Bonvin M07 0.0074 -0.1665 incorrect 9/ 51 0.0000 1.0000 65.0283 20.4655 21.3006 S.Weng M05 0.0073 -0.1677 incorrect 1/ 51 0.0000 1.0000 64.6384 21.2241 22.3134 S.Vakser M08 0.0073 -0.1677 incorrect 12/ 51 0.0000 1.0000 64.6384 21.2241 21.8953 S.Huang M08 0.0073 -0.1677 incorrect 12/ 51 0.0000 1.0000 64.6384 21.2241 21.8953 Moal M03 0.0073 -0.1677 incorrect 12/ 51 0.0000 1.0000 64.6385 21.2241 21.8953 HADDOCK M02 0.0072 -0.1694 incorrect 2/ 51 0.0000 1.0000 62.4167 25.1919 26.2213 HADDOCK M06 0.0072 -0.1703 incorrect 4/ 51 0.0000 1.0000 62.2902 25.9575 27.4236 S.Chang M04 0.0071 -0.1722 incorrect 3/ 51 0.0000 1.0000 63.1629 25.1189 25.8291 Guerois M03 0.0070 -0.1745 incorrect 21/ 51 0.0000 1.0000 64.8747 23.2504 24.3277 Zou M01 0.0070 -0.1750 incorrect 2/ 51 0.0000 1.0000 62.3040 28.9247 30.3305 S.Huang M03 0.0070 -0.1752 incorrect 5/ 51 0.0000 1.0000 71.0517 18.1037 18.7979 S.Weng M04 0.0070 -0.1752 incorrect 2/ 51 0.0000 1.0000 71.0517 18.1038 18.9122 S.Chang M01 0.0070 -0.1752 incorrect 5/ 51 0.0000 1.0000 71.0517 18.1038 18.7979 S.Grudinin M02 0.0070 -0.1753 incorrect 0/ 51 0.0000 1.0000 62.3630 28.9996 30.4013 HADDOCK M10 0.0070 -0.1754 incorrect 1/ 51 0.0000 1.0000 63.5800 25.9086 26.8348 Chang M01 0.0069 -0.1766 incorrect 2/ 51 0.0000 1.0000 68.1061 20.3724 21.1905 Seok M03 0.0069 -0.1769 incorrect 10/ 51 0.0000 1.0000 62.9332 28.4853 29.4517 S.Huang M02 0.0068 -0.1780 incorrect 11/ 51 0.0000 1.0000 64.6306 25.2044 26.0893 Venclovas M04 0.0068 -0.1780 low_id,incorrect 26/ 51 0.0000 1.0000 66.8731 21.9977 22.8275 S.Seok M01 0.0068 -0.1787 incorrect 5/ 51 0.0000 1.0000 63.0537 29.4654 30.1791 S.Kihara M05 0.0065 -0.1844 incorrect 3/ 51 0.0000 1.0000 65.3537 27.3444 28.3480 HADDOCK M08 0.0065 -0.1844 incorrect 0/ 51 0.0000 1.0000 65.3586 27.3490 28.2806 Wallner M05 0.0065 -0.1846 incorrect 2/ 51 0.0000 1.0000 68.2335 22.7875 24.1870 S.Oliva M03 0.0065 -0.1850 incorrect 0/ 51 0.0000 nan 65.5393 27.3584 27.8508 Chang M09 0.0064 -0.1868 incorrect 0/ 51 0.0000 nan 64.7240 30.9601 31.8841 Seok M08 0.0064 -0.1875 incorrect 0/ 51 0.0000 nan 68.6311 23.4274 24.4007 HADDOCK M01 0.0063 -0.1887 incorrect 2/ 51 0.0000 1.0000 66.5762 27.4306 28.8846 S.Bonvin M02 0.0063 -0.1905 incorrect 17/ 51 0.0000 1.0000 69.5576 23.4810 24.7617 S.Chang M07 0.0063 -0.1905 incorrect 0/ 51 0.0000 nan 68.4908 24.9384 25.1425 Moal M02 0.0063 -0.1905 incorrect 0/ 51 0.0000 nan 68.4909 24.9384 25.1425 Venclovas M05 0.0063 -0.1905 clashes,incorrect 155/ 51 0.0000 1.0000 68.7499 24.5708 25.4859 Venclovas M03 0.0063 -0.1905 clashes,incorrect 155/ 51 0.0000 1.0000 68.7499 24.5708 25.4859 S.Moal M09 0.0063 -0.1907 incorrect 0/ 51 0.0000 nan 68.5536 24.9214 25.1620 HADDOCK M07 0.0062 -0.1924 incorrect 4/ 51 0.0000 1.0000 68.8513 25.3271 26.3836 Zacharias M03 0.0061 -0.1933 incorrect 7/ 51 0.0000 1.0000 74.2835 20.2536 20.9131 Wallner M07 0.0061 -0.1939 incorrect 6/ 51 0.0000 1.0000 70.8048 23.3901 24.7524 Wallner M08 0.0061 -0.1941 incorrect 7/ 51 0.0000 1.0000 71.1717 23.0756 24.4951 Wallner M06 0.0061 -0.1942 incorrect 3/ 51 0.0000 1.0000 70.2271 24.2352 25.8876 Zou M08 0.0061 -0.1944 incorrect 0/ 51 0.0000 1.0000 70.7408 23.6843 24.3577 S.Chang M10 0.0061 -0.1944 incorrect 0/ 51 0.0000 1.0000 70.7408 23.6843 24.3577 Shen M01 0.0061 -0.1944 incorrect 0/ 51 0.0000 1.0000 71.4676 22.8934 23.7380 Zacharias M02 0.0061 -0.1945 incorrect 6/ 51 0.0000 1.0000 74.6684 20.3205 20.9421 Zacharias M04 0.0061 -0.1945 incorrect 6/ 51 0.0000 1.0000 74.6822 20.3130 20.9613 Zacharias M08 0.0061 -0.1948 incorrect 5/ 51 0.0000 1.0000 74.7318 20.3510 21.0404 S.Zou M03 0.0061 -0.1948 incorrect 0/ 51 0.0000 nan 70.7475 23.8675 24.6812 Zacharias M09 0.0060 -0.1951 incorrect 8/ 51 0.0000 1.0000 75.0850 20.2193 20.8725 Zacharias M05 0.0060 -0.1953 incorrect 6/ 51 0.0000 1.0000 74.8804 20.3973 21.0880 S.Grudinin M05 0.0060 -0.1954 incorrect 0/ 51 0.0000 nan 70.8885 23.9404 24.6029 S.Bonvin M08 0.0060 -0.1959 incorrect 3/ 51 0.0000 1.0000 68.2264 28.6786 30.0650 S.Vakser M06 0.0060 -0.1964 incorrect 46/ 51 0.0000 1.0000 69.9965 25.6320 26.8419 Vajda,Kozakov M01 0.0060 -0.1968 incorrect 28/ 51 0.0000 1.0000 76.9421 19.5833 20.6632 CLUSPRO M01 0.0060 -0.1968 incorrect 28/ 51 0.0000 1.0000 76.9421 19.5833 20.6632 S.SWARMDOCK M04 0.0060 -0.1970 incorrect 24/ 51 0.0000 1.0000 85.1488 16.7123 17.9572 DelCarpio M05 0.0060 -0.1970 incorrect 24/ 51 0.0000 1.0000 85.1488 16.7123 17.9573 DelCarpio M10 0.0059 -0.1972 incorrect 22/ 51 0.0000 1.0000 85.1061 16.7440 17.9689 LZERD M07 0.0059 -0.1973 incorrect 2/ 51 0.0000 1.0000 72.7899 22.6650 23.5584 LZERD M06 0.0059 -0.1973 incorrect 2/ 51 0.0000 1.0000 72.7932 22.6651 23.5216 LZERD M10 0.0059 -0.1974 incorrect 2/ 51 0.0000 1.0000 72.7995 22.6610 23.6243 LZERD M09 0.0059 -0.1974 incorrect 2/ 51 0.0000 1.0000 72.8003 22.6728 23.6068 LZERD M08 0.0059 -0.1974 incorrect 2/ 51 0.0000 1.0000 72.8140 22.6750 23.5721 DelCarpio M02 0.0059 -0.1974 incorrect 27/ 51 0.0000 1.0000 84.7223 16.8800 18.0896 DelCarpio M08 0.0059 -0.1988 incorrect 26/ 51 0.0000 1.0000 84.6883 17.1043 18.2538 DelCarpio M06 0.0059 -0.1991 incorrect 29/ 51 0.0000 1.0000 85.4355 16.9547 18.2154 DelCarpio M07 0.0058 -0.1994 incorrect 26/ 51 0.0000 1.0000 85.5540 16.9660 18.2116 DelCarpio M04 0.0058 -0.2002 incorrect 26/ 51 0.0000 1.0000 86.1714 16.9393 18.2526 DelCarpio M09 0.0058 -0.2003 incorrect 29/ 51 0.0000 1.0000 85.4658 17.1323 18.3606 DelCarpio M03 0.0058 -0.2004 incorrect 23/ 51 0.0000 1.0000 86.1700 16.9751 18.2748 S.Fernandez-Recio M02 0.0058 -0.2010 incorrect 0/ 51 0.0000 nan 71.2559 26.2180 26.4027 Takeda-Shitaka M04 0.0058 -0.2013 incorrect 14/ 51 0.0000 1.0000 77.5564 20.3686 21.4435 Takeda-Shitaka M05 0.0057 -0.2014 incorrect 16/ 51 0.0000 1.0000 77.4948 20.4402 21.4243 Takeda-Shitaka M07 0.0057 -0.2016 incorrect 13/ 51 0.0000 1.0000 73.5597 23.5360 24.4612 S.Vakser M04 0.0057 -0.2016 clashes,incorrect 90/ 51 0.0000 1.0000 71.6066 25.9869 26.9159 Takeda-Shitaka M03 0.0057 -0.2020 incorrect 14/ 51 0.0000 1.0000 77.6583 20.5032 21.6340 Takeda-Shitaka M10 0.0057 -0.2034 incorrect 4/ 51 0.0000 1.0000 77.9608 20.7168 21.9044 Takeda-Shitaka M08 0.0057 -0.2035 incorrect 2/ 51 0.0000 1.0000 77.9688 20.7298 21.9160 Shen M08 0.0056 -0.2036 incorrect 0/ 51 0.0000 1.0000 73.5511 24.4410 25.0279 LZERD M01 0.0056 -0.2036 incorrect 4/ 51 0.0000 1.0000 78.1003 20.6977 21.6999 LZERD M03 0.0056 -0.2037 incorrect 3/ 51 0.0000 1.0000 78.1025 20.7111 21.7022 Shen M02 0.0056 -0.2037 incorrect 0/ 51 0.0000 1.0000 77.8551 20.8602 22.2511 LZERD M04 0.0056 -0.2037 incorrect 4/ 51 0.0000 1.0000 78.1072 20.7130 21.7781 LZERD M05 0.0056 -0.2037 incorrect 5/ 51 0.0000 1.0000 78.1091 20.7120 21.8018 Takeda-Shitaka M09 0.0056 -0.2037 incorrect 3/ 51 0.0000 1.0000 78.0954 20.7223 21.8316 LZERD M02 0.0056 -0.2037 incorrect 4/ 51 0.0000 1.0000 78.1114 20.7140 21.7031 Iwadate M01 0.0056 -0.2040 incorrect 9/ 51 0.0000 1.0000 78.1317 20.7843 22.0249 Takeda-Shitaka M02 0.0056 -0.2042 incorrect 6/ 51 0.0000 1.0000 74.2934 23.9025 24.6816 Takeda-Shitaka M06 0.0056 -0.2044 incorrect 2/ 51 0.0000 1.0000 78.1947 20.8550 22.1133 Weng M08 0.0056 -0.2048 clashes,incorrect 91/ 51 0.0000 1.0000 72.4204 26.5438 27.2457 Wallner M03 0.0056 -0.2050 incorrect 5/ 51 0.0000 1.0000 80.9191 19.6091 20.3310 Guerois M01 0.0055 -0.2056 incorrect 11/ 51 0.0000 1.0000 80.1345 20.1270 20.6713 Wallner M02 0.0055 -0.2073 incorrect 7/ 51 0.0000 1.0000 82.1451 19.5996 20.2511 Wallner M04 0.0055 -0.2073 incorrect 6/ 51 0.0000 1.0000 81.2960 19.9936 20.6814 Wallner M01 0.0055 -0.2074 incorrect 7/ 51 0.0000 1.0000 81.8836 19.7354 20.4319 Ritchie M02 0.0054 -0.2080 incorrect 8/ 51 0.0000 1.0000 81.3108 20.1462 20.9703 Guerois M02 0.0054 -0.2092 incorrect 20/ 51 0.0000 1.0000 80.9025 20.7013 21.1838 Takeda-Shitaka M01 0.0054 -0.2093 incorrect 1/ 51 0.0000 1.0000 80.4142 20.9762 22.0390 S.Moal M01 0.0053 -0.2101 incorrect 4/ 51 0.0000 1.0000 78.1301 22.7447 23.1794 S.Gray M08 0.0053 -0.2109 incorrect 0/ 51 0.0000 nan 75.3982 25.8363 26.7356 S.Venclovas M05 0.0053 -0.2114 clashes,incorrect 112/ 51 0.0000 1.0000 80.9805 21.2980 22.2178 S.Venclovas M10 0.0053 -0.2115 incorrect 2/ 51 0.0000 1.0000 78.3313 23.1254 24.6734 S.Chang M08 0.0053 -0.2115 incorrect 2/ 51 0.0000 1.0000 78.3313 23.1254 24.6734 Eisenstein M10 0.0052 -0.2121 incorrect 0/ 51 0.0000 nan 74.9997 27.0996 27.0970 Zacharias M06 0.0052 -0.2124 incorrect 1/ 51 0.0000 1.0000 76.6877 25.0855 25.9771 S.Bonvin M04 0.0052 -0.2126 incorrect 20/ 51 0.0000 1.0000 74.1901 28.7439 29.8997 S.Kihara M08 0.0052 -0.2126 incorrect 16/ 51 0.0000 1.0000 74.1962 28.7484 29.8746 S.Grudinin M01 0.0052 -0.2130 incorrect 1/ 51 0.0000 1.0000 74.1523 29.1145 30.3324 Zou M02 0.0052 -0.2137 incorrect 7/ 51 0.0000 1.0000 74.4456 29.1420 30.2609 S.Zou M02 0.0052 -0.2137 incorrect 7/ 51 0.0000 1.0000 74.4456 29.1420 30.2609 S.Weng M03 0.0052 -0.2137 incorrect 3/ 51 0.0000 1.0000 74.4456 29.1420 30.5765 S.Bonvin M05 0.0051 -0.2149 incorrect 0/ 51 0.0000 nan 79.7729 23.3184 23.7827 S.Venclovas M02 0.0051 -0.2161 clashes,incorrect 126/ 51 0.0000 1.0000 81.7291 22.3543 23.2868 S.Seok M08 0.0051 -0.2161 incorrect 0/ 51 0.0000 1.0000 77.6399 25.9332 26.8288 S.Gray M06 0.0051 -0.2162 incorrect 0/ 51 0.0000 nan 77.3922 26.2699 27.1850 Weng M09 0.0050 -0.2167 incorrect 49/ 51 0.0000 1.0000 76.9193 27.2119 28.2940 Zacharias M10 0.0050 -0.2169 incorrect 1/ 51 0.0000 1.0000 78.5425 25.3466 26.2241 Zacharias M01 0.0050 -0.2172 incorrect 0/ 51 0.0000 1.0000 78.4130 25.6160 26.4995 Zacharias M07 0.0050 -0.2172 incorrect 0/ 51 0.0000 1.0000 78.4574 25.5791 26.4596 Vajda,Kozakov M02 0.0050 -0.2178 incorrect 4/ 51 0.0000 1.0000 83.5314 21.8448 22.5920 CLUSPRO M02 0.0050 -0.2178 incorrect 4/ 51 0.0000 1.0000 83.5314 21.8448 22.5920 S.Gray M07 0.0050 -0.2182 incorrect 0/ 51 0.0000 nan 77.5177 27.3142 28.1909 Guerois M08 0.0049 -0.2202 incorrect 12/ 51 0.0000 1.0000 83.5406 22.6620 23.4548 S.Fernandez-Recio M10 0.0049 -0.2202 incorrect 0/ 51 0.0000 nan 82.0072 23.7668 24.2457 S.Moal M07 0.0048 -0.2207 incorrect 4/ 51 0.0000 1.0000 75.8178 32.5850 33.8470 S.Venclovas M01 0.0048 -0.2211 clashes,incorrect 76/ 51 0.0000 1.0000 82.3391 23.8679 24.9151 S.Weng M02 0.0048 -0.2214 incorrect 2/ 51 0.0000 1.0000 80.2925 25.8445 26.7547 S.Vakser M01 0.0048 -0.2214 incorrect 0/ 51 0.0000 1.0000 80.2925 25.8445 26.3709 S.Huang M07 0.0048 -0.2214 incorrect 0/ 51 0.0000 1.0000 80.2925 25.8445 26.3709 S.Chang M03 0.0048 -0.2214 incorrect 0/ 51 0.0000 1.0000 80.2925 25.8445 26.3709 Ritchie M04 0.0048 -0.2216 incorrect 13/ 51 0.0000 1.0000 78.5311 28.2050 28.9421 S.Weng M06 0.0048 -0.2219 incorrect 0/ 51 0.0000 1.0000 82.9887 23.7170 24.1648 Moal M01 0.0048 -0.2219 incorrect 0/ 51 0.0000 nan 82.9887 23.7170 24.1148 Vajda,Kozakov M04 0.0048 -0.2221 incorrect 0/ 51 0.0000 nan 76.5909 32.1904 33.0388 CLUSPRO M04 0.0048 -0.2221 incorrect 0/ 51 0.0000 nan 76.5909 32.1904 33.0388 S.Grudinin M07 0.0047 -0.2228 incorrect 0/ 51 0.0000 nan 78.2220 29.5408 30.4743 Shen M10 0.0047 -0.2228 incorrect 3/ 51 0.0000 1.0000 83.9797 23.3898 24.4295 Seok M01 0.0047 -0.2231 incorrect 10/ 51 0.0000 1.0000 78.4812 29.3777 30.5129 Zou M04 0.0047 -0.2233 incorrect 0/ 51 0.0000 nan 78.4148 29.6376 30.5774 S.Venclovas M08 0.0047 -0.2234 incorrect 49/ 51 0.0000 1.0000 82.7646 24.5604 25.5339 S.Zou M08 0.0047 -0.2239 incorrect 0/ 51 0.0000 nan 78.4865 30.0451 31.0085 S.Weng M08 0.0046 -0.2250 incorrect 12/ 51 0.0000 1.0000 80.7650 27.4943 28.6604 S.Bonvin M03 0.0046 -0.2250 incorrect 16/ 51 0.0000 1.0000 80.7650 27.4943 28.4610 Guerois M10 0.0046 -0.2256 incorrect 8/ 51 0.0000 1.0000 83.5863 24.9416 25.6963 S.Bonvin M01 0.0046 -0.2262 incorrect 0/ 51 0.0000 nan 77.8684 33.6190 34.5594 S.Gray M01 0.0046 -0.2265 incorrect 0/ 51 0.0000 nan 85.5872 23.7957 24.5557 Zou M05 0.0045 -0.2280 incorrect 1/ 51 0.0000 1.0000 79.2503 32.4039 33.5425 S.Zou M01 0.0045 -0.2280 incorrect 1/ 51 0.0000 1.0000 79.2503 32.4039 33.5425 S.Weng M01 0.0045 -0.2280 incorrect 0/ 51 0.0000 1.0000 79.2503 32.4039 33.7751 S.Huang M01 0.0045 -0.2280 incorrect 1/ 51 0.0000 1.0000 79.2504 32.4039 33.5425 S.Grudinin M03 0.0045 -0.2282 incorrect 0/ 51 0.0000 1.0000 79.3569 32.4468 33.6016 S.Fernandez-Recio M09 0.0045 -0.2283 incorrect 4/ 51 0.0000 1.0000 80.9566 29.5848 30.0699 Huang M04 0.0045 -0.2288 incorrect 22/ 51 0.0000 1.0000 80.9726 29.9808 30.8347 Huang M03 0.0045 -0.2288 incorrect 22/ 51 0.0000 1.0000 80.9727 29.9808 30.8348 Huang M01 0.0045 -0.2288 incorrect 22/ 51 0.0000 1.0000 80.9727 29.9808 30.8348 S.Venclovas M06 0.0044 -0.2301 incorrect 0/ 51 0.0000 nan 85.6683 25.4603 26.2617 Chang M07 0.0044 -0.2312 incorrect 0/ 51 0.0000 nan 81.6724 30.9935 31.8224 Chang M05 0.0043 -0.2318 incorrect 0/ 51 0.0000 nan 82.4555 30.1684 30.8285 Weng M10 0.0043 -0.2320 incorrect 42/ 51 0.0000 1.0000 83.3162 29.1055 29.9967 Weng M01 0.0043 -0.2326 clashes,incorrect 72/ 51 0.0000 1.0000 82.7852 30.4133 31.4148 Seok M10 0.0042 -0.2346 incorrect 0/ 51 0.0000 nan 81.0402 36.3118 36.7462 S.SWARMDOCK M05 0.0042 -0.2352 incorrect 18/ 51 0.0000 1.0000 86.4560 27.6819 28.3407 SWARMDOCK M07 0.0042 -0.2352 incorrect 18/ 51 0.0000 1.0000 86.4561 27.6819 28.3407 SWARMDOCK M02 0.0042 -0.2352 incorrect 19/ 51 0.0000 1.0000 86.4830 27.6905 28.3472 S.Kihara M01 0.0042 -0.2353 incorrect 13/ 51 0.0000 1.0000 86.5067 27.7411 28.4003 Chang M04 0.0041 -0.2368 incorrect 0/ 51 0.0000 nan 82.7963 34.8849 35.9054 Weng M03 0.0040 -0.2377 clashes,incorrect 63/ 51 0.0000 1.0000 87.2964 28.5235 29.1425 Ritchie M09 0.0040 -0.2389 incorrect 20/ 51 0.0000 1.0000 88.2243 28.4108 29.0534 S.Vakser M05 0.0040 -0.2394 incorrect 1/ 51 0.0000 1.0000 88.8340 28.1140 28.4589 S.Gray M02 0.0040 -0.2394 incorrect 0/ 51 0.0000 nan 89.8411 27.1760 27.8565 S.Huang M09 0.0039 -0.2403 incorrect 0/ 51 0.0000 nan 88.0570 29.6513 29.9524 DelCarpio M01 0.0039 -0.2413 incorrect 4/ 51 0.0000 1.0000 89.4268 28.8724 30.6364 Vajda,Kozakov M10 0.0039 -0.2414 incorrect 0/ 51 0.0000 nan 87.6069 31.2072 31.8840 CLUSPRO M10 0.0039 -0.2414 incorrect 0/ 51 0.0000 nan 87.6069 31.2072 31.8840 S.Gray M05 0.0039 -0.2415 incorrect 1/ 51 0.0000 1.0000 90.2047 28.2645 28.8947 S.Oliva M01 0.0038 -0.2422 incorrect 4/ 51 0.0000 1.0000 90.6238 28.3473 29.1375 S.Venclovas M09 0.0038 -0.2422 incorrect 0/ 51 0.0000 nan 90.5459 28.4485 29.2509 S.Moal M08 0.0038 -0.2426 incorrect 0/ 51 0.0000 nan 88.9453 30.5197 31.2765 S.Gray M03 0.0038 -0.2435 incorrect 0/ 51 0.0000 nan 91.2176 28.6916 29.4754 S.Weng M07 0.0038 -0.2439 incorrect 0/ 51 0.0000 nan 88.7597 32.0185 32.9435 S.Gray M04 0.0038 -0.2440 incorrect 0/ 51 0.0000 nan 91.8618 28.4528 29.2885 Shen M05 0.0037 -0.2445 incorrect 0/ 51 0.0000 nan 85.9479 38.7092 39.2054 Chang M10 0.0037 -0.2448 incorrect 0/ 51 0.0000 nan 85.9072 39.2966 40.2417 S.Seok M10 0.0037 -0.2449 incorrect 5/ 51 0.0000 1.0000 90.7684 30.3447 31.1003 Vajda,Kozakov M06 0.0036 -0.2479 incorrect 0/ 51 0.0000 nan 91.1020 32.7862 33.4153 CLUSPRO M06 0.0036 -0.2479 incorrect 0/ 51 0.0000 nan 91.1020 32.7862 33.4152 S.Vakser M02 0.0036 -0.2480 incorrect 6/ 51 0.0000 1.0000 89.4513 35.8664 36.8278 Moal M05 0.0036 -0.2480 incorrect 6/ 51 0.0000 1.0000 89.4513 35.8664 36.8278 Zou M03 0.0035 -0.2486 incorrect 0/ 51 0.0000 nan 94.4127 29.4827 29.9813 S.Grudinin M09 0.0035 -0.2486 incorrect 0/ 51 0.0000 nan 94.4409 29.5211 30.0245 Eisenstein M05 0.0035 -0.2494 incorrect 0/ 51 0.0000 nan 96.3920 28.3707 28.8975 S.Gray M09 0.0035 -0.2495 incorrect 10/ 51 0.0000 1.0000 90.6321 35.5517 36.4001 S.Moal M02 0.0034 -0.2508 incorrect 0/ 51 0.0000 nan 92.2835 34.4434 34.7161 S.Kihara M06 0.0034 -0.2525 incorrect 14/ 51 0.0000 1.0000 92.9493 35.5578 36.5356 S.Huang M06 0.0034 -0.2526 incorrect 0/ 51 0.0000 nan 91.1707 39.5922 40.0917 S.Chang M06 0.0034 -0.2526 incorrect 0/ 51 0.0000 nan 91.1708 39.5922 40.0917 Vajda,Kozakov M08 0.0033 -0.2527 incorrect 0/ 51 0.0000 nan 94.9460 32.7667 33.4249 CLUSPRO M08 0.0033 -0.2527 incorrect 0/ 51 0.0000 nan 94.9460 32.7667 33.4249 S.Oliva M02 0.0033 -0.2544 incorrect 3/ 51 0.0000 1.0000 95.3498 34.2206 34.9973 S.Fernandez-Recio M03 0.0033 -0.2544 incorrect 0/ 51 0.0000 nan 92.1666 40.5773 41.1493 S.Chang M05 0.0033 -0.2547 incorrect 0/ 51 0.0000 nan 96.0984 33.5225 33.8265 Chang M03 0.0032 -0.2552 incorrect 0/ 51 0.0000 nan 92.2649 42.0120 43.1923 Chang M08 0.0032 -0.2552 incorrect 2/ 51 0.0000 1.0000 95.1381 35.6966 36.6853 S.Moal M04 0.0032 -0.2558 incorrect 0/ 51 0.0000 nan 95.0929 36.5673 36.7004 S.Chang M09 0.0032 -0.2564 incorrect 0/ 51 0.0000 nan 98.8307 32.1592 32.6408 S.Seok M09 0.0032 -0.2566 incorrect 10/ 51 0.0000 1.0000 98.6331 32.4969 33.0273 S.SWARMDOCK M02 0.0031 -0.2570 incorrect 18/ 51 0.0000 1.0000 97.8973 33.8711 34.7024 Seok M05 0.0031 -0.2573 incorrect 4/ 51 0.0000 1.0000 97.3019 35.1109 35.9445 S.Bonvin M09 0.0031 -0.2574 incorrect 11/ 51 0.0000 1.0000 97.0522 35.7171 36.6605 SWARMDOCK M04 0.0031 -0.2576 incorrect 19/ 51 0.0000 1.0000 98.3052 34.1028 34.9211 SWARMDOCK M01 0.0031 -0.2576 incorrect 18/ 51 0.0000 1.0000 98.3170 34.0880 34.8974 SWARMDOCK M10 0.0031 -0.2577 incorrect 18/ 51 0.0000 1.0000 98.3708 34.0866 34.8918 SWARMDOCK M06 0.0031 -0.2577 incorrect 18/ 51 0.0000 1.0000 98.3708 34.0866 34.8918 SWARMDOCK M09 0.0031 -0.2577 incorrect 18/ 51 0.0000 1.0000 98.3916 34.1496 34.9483 S.Vakser M10 0.0031 -0.2579 incorrect 2/ 51 0.0000 1.0000 99.0029 33.5714 34.4484 S.Moal M05 0.0031 -0.2582 incorrect 0/ 51 0.0000 nan 98.0416 35.1961 35.4164 S.Oliva M09 0.0031 -0.2586 incorrect 0/ 51 0.0000 nan 100.0770 33.0832 33.5893 Guerois M09 0.0031 -0.2586 incorrect 6/ 51 0.0000 1.0000 96.9045 37.7641 38.5661 S.Vakser M07 0.0031 -0.2588 incorrect 0/ 51 0.0000 1.0000 99.9204 33.5594 34.0732 S.Moal M03 0.0031 -0.2589 incorrect 0/ 51 0.0000 1.0000 99.9717 33.6229 34.1202 Eisenstein M02 0.0030 -0.2592 incorrect 2/ 51 0.0000 1.0000 97.3130 38.0214 38.9424 S.Seok M05 0.0030 -0.2597 incorrect 0/ 51 0.0000 nan 97.2998 38.8803 39.7728 Vajda,Kozakov M07 0.0030 -0.2603 incorrect 0/ 51 0.0000 nan 97.1017 40.4265 40.9669 CLUSPRO M07 0.0030 -0.2603 incorrect 0/ 51 0.0000 nan 97.1017 40.4265 40.9669 Weng M04 0.0030 -0.2606 incorrect 51/ 51 0.0000 1.0000 98.6087 38.0818 38.9446 Weng M06 0.0030 -0.2609 incorrect 28/ 51 0.0000 1.0000 98.7382 38.2166 39.1651 S.Zou M10 0.0029 -0.2622 incorrect 3/ 51 0.0000 1.0000 100.7705 36.9671 37.8731 Moal M09 0.0029 -0.2632 incorrect 2/ 51 0.0000 1.0000 103.3594 34.9069 35.3705 Zou M06 0.0028 -0.2653 incorrect 0/ 51 0.0000 1.0000 103.9960 36.9934 37.7470 S.Vakser M03 0.0027 -0.2665 incorrect 0/ 51 0.0000 nan 106.1846 35.9615 36.2129 S.Venclovas M07 0.0027 -0.2666 incorrect 0/ 51 0.0000 nan 100.8695 46.5261 47.6098 Shen M03 0.0027 -0.2666 incorrect 1/ 51 0.0000 1.0000 100.0449 49.4068 50.2443 Moal M04 0.0026 -0.2676 incorrect 6/ 51 0.0000 1.0000 106.3875 37.3961 37.8630 S.Vakser M09 0.0026 -0.2676 incorrect 3/ 51 0.0000 1.0000 106.8134 36.9054 37.3865 Moal M08 0.0026 -0.2676 incorrect 3/ 51 0.0000 1.0000 106.8134 36.9055 37.3865 Eisenstein M01 0.0026 -0.2686 incorrect 7/ 51 0.0000 1.0000 105.4248 40.8671 41.7436 S.Huang M10 0.0026 -0.2694 incorrect 25/ 51 0.0000 1.0000 106.6075 40.4298 40.9702 Moal M07 0.0026 -0.2694 incorrect 3/ 51 0.0000 1.0000 108.3468 37.7784 38.2177 S.Venclovas M03 0.0025 -0.2708 incorrect 0/ 51 0.0000 nan 105.0952 47.5520 48.6165 S.Seok M07 0.0024 -0.2727 incorrect 0/ 51 0.0000 nan 107.6255 46.7174 47.6166 Guerois M07 0.0023 -0.2756 incorrect 4/ 51 0.0000 1.0000 114.4925 40.9064 41.4054 Ritchie M08 0.0023 -0.2761 incorrect 0/ 51 0.0000 1.0000 113.1921 44.2817 44.8399 Eisenstein M06 0.0021 -0.2789 incorrect 0/ 51 0.0000 nan 116.5947 45.8460 46.6175 Guerois M06 0.0020 -0.2814 incorrect 2/ 51 0.0000 1.0000 121.7153 44.1274 44.7340 Guerois M05 0.0020 -0.2815 incorrect 0/ 51 0.0000 1.0000 121.8556 44.1674 44.8040 Shen M09 0.0020 -0.2818 incorrect 0/ 51 0.0000 1.0000 122.1475 44.6129 44.9554 Ritchie M03 0.0020 -0.2819 incorrect 0/ 51 0.0000 nan 119.2272 50.4184 51.3472 S.Zou M06 0.0019 -0.2842 incorrect 0/ 51 0.0000 nan 124.8521 47.3165 47.8514 S.Weng M09 0.0019 -0.2842 incorrect 0/ 51 0.0000 nan 124.8521 47.3165 48.1902 S.Chang M02 0.0019 -0.2842 incorrect 0/ 51 0.0000 nan 124.8521 47.3165 47.8514 Eisenstein M08 0.0017 -0.2872 incorrect 0/ 51 0.0000 nan 128.6902 51.3111 52.0902 Eisenstein M09 0.0017 -0.2881 incorrect 0/ 51 0.0000 nan 132.7240 47.8369 48.1872 Eisenstein M03 0.0017 -0.2888 incorrect 0/ 51 0.0000 1.0000 132.7637 50.2793 50.9558 S.Seok M03 0.0016 -0.2905 incorrect 1/ 51 0.0000 1.0000 134.5849 54.5997 55.2047 CLUSPRO M05 0.0016 -0.2907 incorrect 0/ 51 0.0000 nan 131.8990 63.1843 63.8402 Vajda,Kozakov M05 0.0016 -0.2907 incorrect 0/ 51 0.0000 nan 131.8991 63.1843 63.8402 S.Seok M02 0.0014 -0.2933 incorrect 0/ 51 0.0000 1.0000 141.9311 54.3451 54.8391 S.Kihara M09 0.0014 -0.2947 incorrect 0/ 51 0.0000 nan 145.4549 55.4112 55.9843 S.Fernandez-Recio M06 0.0014 -0.2949 incorrect 0/ 51 0.0000 nan 145.4441 56.5270 56.8570

Target: T117.2

Group Model DockQ Zscore Classification nclash fnat fnonnat lrmsd irmsdbb irmsdsc Eisenstein M02 0.0888 6.7430 incorrect 27/ 28 0.0000 1.0000 14.6374 12.5037 11.9976 Eisenstein M10 0.0827 6.2216 incorrect 20/ 28 0.0000 1.0000 15.4677 11.7186 11.9265 Eisenstein M03 0.0826 6.2101 incorrect 14/ 28 0.0000 1.0000 15.4829 11.7381 11.9435 Eisenstein M09 0.0605 4.3265 incorrect 1/ 28 0.0000 1.0000 18.8575 13.2358 13.9279 Shen M06 0.0434 2.8661 incorrect 2/ 28 0.0000 1.0000 23.8161 11.3060 10.9822 Shen M05 0.0430 2.8274 incorrect 1/ 28 0.0189 0.9836 25.8596 13.3221 13.4444 Takeda-Shitaka M07 0.0407 2.6292 incorrect 4/ 28 0.0000 1.0000 26.1854 9.0664 9.4475 Takeda-Shitaka M02 0.0398 2.5587 incorrect 8/ 28 0.0000 1.0000 26.4987 9.1443 9.5862 Eisenstein M05 0.0393 2.5132 incorrect 19/ 28 0.0566 0.9610 36.3336 15.3902 17.3706 LZERD M02 0.0389 2.4826 incorrect 13/ 28 0.0000 1.0000 25.5262 11.4026 12.8672 LZERD M09 0.0389 2.4824 incorrect 12/ 28 0.0000 1.0000 25.5282 11.4005 12.8553 LZERD M04 0.0389 2.4815 incorrect 14/ 28 0.0000 1.0000 25.5309 11.4044 12.8811 LZERD M01 0.0389 2.4814 incorrect 15/ 28 0.0000 1.0000 25.5297 11.4088 12.8333 LZERD M06 0.0389 2.4813 incorrect 11/ 28 0.0000 1.0000 25.5330 11.4022 12.8456 LZERD M03 0.0389 2.4794 incorrect 16/ 28 0.0000 1.0000 25.5411 11.4061 12.9346 LZERD M10 0.0389 2.4791 incorrect 10/ 28 0.0000 1.0000 25.5421 11.4062 12.8293 LZERD M07 0.0389 2.4783 incorrect 14/ 28 0.0000 1.0000 25.5467 11.4055 12.8252 LZERD M08 0.0389 2.4782 incorrect 11/ 28 0.0000 1.0000 25.5453 11.4104 12.8770 LZERD M05 0.0389 2.4776 incorrect 14/ 28 0.0000 1.0000 25.5505 11.4045 12.8413 Eisenstein M07 0.0385 2.4480 clashes,incorrect 34/ 28 0.0000 1.0000 25.1279 13.1048 14.2200 Shen M03 0.0348 2.1264 incorrect 1/ 28 0.0377 0.9583 40.5349 9.4648 10.3292 Eisenstein M08 0.0334 2.0083 incorrect 4/ 28 0.0000 1.0000 27.0558 14.6710 15.2881 Eisenstein M06 0.0330 1.9770 incorrect 24/ 28 0.0000 1.0000 27.1838 14.9153 15.5967 S.Grudinin M10 0.0316 1.8529 incorrect 9/ 28 0.0566 0.9565 50.9792 14.1749 15.6565 SWARMDOCK M02 0.0315 1.8505 incorrect 16/ 28 0.0566 0.9605 51.2079 14.0783 15.5405 S.SWARMDOCK M02 0.0315 1.8505 incorrect 17/ 28 0.0566 0.9577 51.1881 14.0912 15.5539 SWARMDOCK M03 0.0315 1.8504 incorrect 17/ 28 0.0566 0.9589 51.1313 14.1310 15.6080 SWARMDOCK M09 0.0315 1.8503 incorrect 17/ 28 0.0566 0.9595 51.1848 14.0980 15.5732 S.Kihara M02 0.0315 1.8502 incorrect 12/ 28 0.0566 0.9571 51.1892 14.0972 15.6409 S.SWARMDOCK M01 0.0315 1.8501 incorrect 17/ 28 0.0566 0.9589 51.0716 14.1775 15.6439 SWARMDOCK M04 0.0315 1.8487 incorrect 16/ 28 0.0566 0.9600 51.2151 14.1147 15.6069 SWARMDOCK M08 0.0315 1.8480 incorrect 17/ 28 0.0566 0.9595 51.2399 14.1143 15.5899 S.Kihara M01 0.0315 1.8476 incorrect 11/ 28 0.0566 0.9571 51.2142 14.1403 15.6145 SWARMDOCK M07 0.0315 1.8470 incorrect 17/ 28 0.0566 0.9605 51.2755 14.1139 15.5940 S.SWARMDOCK M05 0.0315 1.8470 incorrect 17/ 28 0.0566 0.9605 51.2755 14.1139 15.5940 SWARMDOCK M05 0.0315 1.8466 incorrect 17/ 28 0.0566 0.9605 51.3758 14.0563 15.5322 S.Oliva M03 0.0292 1.6471 low_id,clashes,incorrect 49/ 28 0.0000 1.0000 29.1070 15.8108 15.5435 Chang M01 0.0283 1.5690 incorrect 7/ 28 0.0000 1.0000 29.7188 15.6198 14.3692 S.Vakser M06 0.0275 1.5008 low_id,incorrect 26/ 28 0.0000 1.0000 30.3410 15.2421 13.4896 S.Oliva M04 0.0262 1.3953 low_id,clashes,incorrect 59/ 28 0.0000 1.0000 30.8012 16.8172 16.4759 S.Bonvin M07 0.0249 1.2804 incorrect 2/ 28 0.0000 1.0000 31.9268 16.2602 17.4690 Ritchie M06 0.0238 1.1852 incorrect 4/ 28 0.0189 0.9615 41.3525 13.6994 15.4386 Vajda,Kozakov M07 0.0228 1.1014 incorrect 8/ 28 0.0000 1.0000 33.9122 15.5381 13.6381 CLUSPRO M07 0.0228 1.1014 incorrect 8/ 28 0.0000 1.0000 33.9122 15.5381 13.6380 Ritchie M03 0.0216 0.9988 incorrect 12/ 28 0.0000 1.0000 34.4905 17.2704 18.3280 S.Kihara M09 0.0213 0.9745 incorrect 10/ 28 0.0000 1.0000 35.5050 15.1701 15.3044 S.Gray M07 0.0210 0.9454 incorrect 0/ 28 0.0000 nan 35.9999 14.8754 13.1482 S.Fernandez-Recio M06 0.0204 0.8975 incorrect 11/ 28 0.0000 1.0000 35.8514 16.7364 16.3543 Chang M04 0.0191 0.7895 incorrect 5/ 28 0.0000 1.0000 36.6806 18.6364 17.7439 S.Grudinin M05 0.0187 0.7493 incorrect 2/ 28 0.0000 1.0000 37.1245 19.0294 20.9409 Zou M08 0.0187 0.7485 incorrect 3/ 28 0.0000 1.0000 37.1471 18.9843 20.8909 S.Chang M10 0.0187 0.7485 incorrect 3/ 28 0.0000 1.0000 37.1471 18.9843 20.8909 Ritchie M04 0.0185 0.7356 incorrect 15/ 28 0.0000 1.0000 37.3186 19.0135 19.7852 HADDOCK M07 0.0178 0.6741 incorrect 0/ 28 0.0000 1.0000 38.5317 17.9412 19.5907 Seok M05 0.0175 0.6507 incorrect 0/ 28 0.0000 1.0000 37.8508 22.2690 20.7554 S.Grudinin M02 0.0172 0.6213 incorrect 12/ 28 0.0000 1.0000 40.0194 16.3686 18.1921 Zou M01 0.0171 0.6165 incorrect 17/ 28 0.0000 1.0000 40.1174 16.3364 18.1549 S.Seok M08 0.0167 0.5777 incorrect 3/ 28 0.0000 1.0000 40.6797 16.5667 14.6907 S.LZERD M04 0.0162 0.5429 incorrect 1/ 28 0.0189 0.9091 56.4618 17.0513 19.3247 S.Huang M06 0.0149 0.4276 clashes,incorrect 49/ 28 0.0000 1.0000 41.6783 21.6809 20.7710 S.Chang M06 0.0149 0.4276 clashes,incorrect 50/ 28 0.0000 1.0000 41.6783 21.6809 20.7710 Chang M03 0.0149 0.4235 incorrect 2/ 28 0.0000 1.0000 42.9328 18.0858 19.8480 S.Moal M08 0.0148 0.4169 low_id,incorrect 4/ 28 0.0000 1.0000 42.8862 18.5154 16.6318 S.Seok M07 0.0147 0.4087 incorrect 0/ 28 0.0000 nan 43.3053 17.9484 19.1404 S.Bonvin M05 0.0146 0.4034 incorrect 18/ 28 0.0000 1.0000 42.2319 21.3464 20.5160 Seok M10 0.0136 0.3206 incorrect 2/ 28 0.0000 1.0000 44.0833 20.9639 20.7463 S.Gray M06 0.0136 0.3144 incorrect 4/ 28 0.0000 1.0000 44.6193 19.8101 17.4297 S.Fernandez-Recio M10 0.0131 0.2776 incorrect 13/ 28 0.0000 1.0000 44.6205 22.5338 21.7980 Huang M04 0.0129 0.2529 clashes,incorrect 44/ 28 0.0000 1.0000 45.7782 20.6761 19.5067 S.Seok M10 0.0127 0.2417 incorrect 0/ 28 0.0000 1.0000 45.6451 21.9359 20.9177 S.Vakser M07 0.0127 0.2402 incorrect 0/ 28 0.0000 1.0000 50.8602 14.2581 15.0636 S.Moal M03 0.0127 0.2399 incorrect 2/ 28 0.0000 1.0000 50.8863 14.2472 15.0572 Seok M04 0.0125 0.2268 incorrect 2/ 28 0.0000 1.0000 50.3316 14.9889 15.4520 S.Fernandez-Recio M03 0.0125 0.2265 clashes,incorrect 53/ 28 0.0000 1.0000 45.4637 24.0929 22.8329 S.Venclovas M10 0.0123 0.2079 incorrect 11/ 28 0.0000 1.0000 47.9016 18.6072 20.0519 S.Chang M08 0.0123 0.2079 incorrect 11/ 28 0.0000 1.0000 47.9016 18.6072 20.0519 S.Zou M05 0.0123 0.2051 incorrect 0/ 28 0.0000 1.0000 45.6780 25.6135 24.8154 S.Gray M08 0.0123 0.2019 incorrect 6/ 28 0.0000 1.0000 47.1698 20.5097 18.0760 S.Vakser M09 0.0120 0.1763 incorrect 2/ 28 0.0000 1.0000 52.7571 14.5113 15.4826 Moal M08 0.0120 0.1763 incorrect 2/ 28 0.0000 1.0000 52.7571 14.5113 15.4826 S.Oliva M10 0.0119 0.1741 low_id,clashes,incorrect 60/ 28 0.0000 1.0000 51.2869 15.6835 16.7918 S.Moal M04 0.0117 0.1561 incorrect 12/ 28 0.0000 1.0000 47.7360 22.4745 20.1349 S.Seok M05 0.0117 0.1525 incorrect 6/ 28 0.0000 1.0000 48.4214 20.8575 20.4497 Iwadate M02 0.0116 0.1488 incorrect 0/ 28 0.0000 1.0000 52.2359 15.6416 16.2484 Ritchie M05 0.0114 0.1315 incorrect 0/ 28 0.0000 nan 48.5914 22.0387 23.4278 Ritchie M02 0.0114 0.1288 incorrect 0/ 28 0.0000 nan 47.7972 25.1235 25.8021 Moal M05 0.0113 0.1239 incorrect 13/ 28 0.0000 1.0000 54.2884 14.8439 15.7854 S.Vakser M02 0.0113 0.1239 incorrect 13/ 28 0.0000 1.0000 54.2884 14.8440 15.7854 S.LZERD M03 0.0112 0.1105 incorrect 1/ 28 0.0000 1.0000 55.5303 14.4424 16.2564 S.Seok M04 0.0110 0.0978 incorrect 0/ 28 0.0000 nan 48.8538 24.4918 22.8291 S.LZERD M05 0.0109 0.0844 incorrect 0/ 28 0.0000 1.0000 55.0002 15.4646 17.4100 Huang M03 0.0106 0.0636 clashes,incorrect 47/ 28 0.0000 1.0000 55.9125 15.4565 16.8868 Huang M01 0.0106 0.0636 clashes,incorrect 47/ 28 0.0000 1.0000 55.9125 15.4565 16.8868 Shen M07 0.0105 0.0513 clashes,incorrect 38/ 28 0.0000 1.0000 53.7462 17.7551 18.2892 Zacharias M03 0.0103 0.0346 incorrect 6/ 28 0.0000 1.0000 50.6426 25.3090 23.9864 S.LZERD M01 0.0102 0.0283 incorrect 0/ 28 0.0000 1.0000 55.8823 16.6346 18.7354 S.Oliva M09 0.0102 0.0221 low_id,clashes,incorrect 30/ 28 0.0000 1.0000 55.4067 17.2942 18.6900 Zou M07 0.0101 0.0217 incorrect 2/ 28 0.0000 1.0000 53.2953 19.9160 21.6118 S.Zou M07 0.0101 0.0217 incorrect 2/ 28 0.0000 1.0000 53.2953 19.9160 21.6118 S.Gray M09 0.0101 0.0193 incorrect 0/ 28 0.0000 nan 50.9046 26.3232 24.6884 Ritchie M10 0.0101 0.0189 incorrect 11/ 28 0.0000 1.0000 52.1737 22.3240 21.8980 S.Grudinin M04 0.0101 0.0152 incorrect 2/ 28 0.0000 1.0000 53.4799 20.0217 21.7085 S.SWARMDOCK M10 0.0100 0.0068 incorrect 25/ 28 0.0000 1.0000 58.3114 15.6371 16.5533 Zou M06 0.0100 0.0065 incorrect 4/ 28 0.0000 1.0000 56.4233 17.0027 19.5008 S.SWARMDOCK M06 0.0100 0.0064 incorrect 0/ 28 0.0000 nan 53.0217 21.4764 22.3385 S.Oliva M06 0.0100 0.0062 low_id,incorrect 0/ 28 0.0000 nan 52.2236 23.3930 22.5346 Seok M01 0.0100 0.0059 incorrect 7/ 28 0.0000 1.0000 52.6267 22.3898 22.0116 S.Zou M03 0.0099 0.0046 incorrect 2/ 28 0.0000 1.0000 58.0145 15.8912 17.2433 S.Seok M01 0.0099 -0.0016 incorrect 2/ 28 0.0000 1.0000 58.0758 16.0511 18.0422 Gray M10 0.0098 -0.0052 incorrect 0/ 28 0.0000 1.0000 58.3212 16.0071 18.1593 Guerois M10 0.0098 -0.0079 incorrect 0/ 28 0.0000 nan 51.7168 26.8773 27.5553 Chang M05 0.0098 -0.0093 incorrect 0/ 28 0.0000 1.0000 59.2396 15.5787 17.2634 Zou M05 0.0096 -0.0275 clashes,incorrect 66/ 28 0.0000 1.0000 52.7301 25.7077 26.5921 S.Zou M01 0.0096 -0.0275 clashes,incorrect 66/ 28 0.0000 1.0000 52.7301 25.7077 26.5921 S.Weng M01 0.0096 -0.0275 clashes,incorrect 79/ 28 0.0000 1.0000 52.7301 25.7077 26.4431 S.Huang M01 0.0096 -0.0275 clashes,incorrect 66/ 28 0.0000 1.0000 52.7301 25.7077 26.5921 S.Grudinin M03 0.0096 -0.0279 clashes,incorrect 65/ 28 0.0000 1.0000 52.7469 25.7007 26.5854 S.LZERD M02 0.0095 -0.0320 incorrect 0/ 28 0.0000 1.0000 59.7831 15.9683 18.2164 Chang M08 0.0095 -0.0377 incorrect 1/ 28 0.0000 1.0000 56.6276 18.7989 19.9596 Moal M07 0.0094 -0.0428 incorrect 0/ 28 0.0000 1.0000 52.7702 27.8441 25.9831 Moal M04 0.0094 -0.0445 incorrect 0/ 28 0.0000 1.0000 52.6628 28.6419 26.9645 Shen M04 0.0093 -0.0525 incorrect 7/ 28 0.0000 1.0000 56.1076 20.3410 21.2134 HADDOCK M09 0.0091 -0.0668 incorrect 0/ 28 0.0000 nan 54.9803 23.6769 24.3528 Huang M06 0.0091 -0.0688 clashes,incorrect 35/ 28 0.0000 1.0000 59.5424 17.4940 18.8544 Zacharias M01 0.0090 -0.0783 incorrect 16/ 28 0.0000 1.0000 57.0248 20.7389 18.6944 Huang M08 0.0090 -0.0785 clashes,incorrect 37/ 28 0.0000 1.0000 59.9916 17.5524 18.5514 CLUSPRO M10 0.0089 -0.0870 incorrect 6/ 28 0.0000 1.0000 54.7000 27.0934 25.1878 Vajda,Kozakov M10 0.0089 -0.0870 incorrect 6/ 28 0.0000 1.0000 54.7001 27.0934 25.1878 S.LZERD M10 0.0089 -0.0885 incorrect 0/ 28 0.0000 1.0000 62.0657 16.5297 18.5386 S.SWARMDOCK M03 0.0088 -0.0914 incorrect 1/ 28 0.0000 1.0000 57.0387 21.7088 21.8416 S.Kihara M03 0.0086 -0.1076 low_id,incorrect 2/ 28 0.0000 1.0000 58.0366 21.3582 21.5853 S.Huang M04 0.0086 -0.1103 incorrect 2/ 28 0.0000 1.0000 55.7208 27.0144 25.1098 Moal M10 0.0086 -0.1103 incorrect 2/ 28 0.0000 1.0000 55.7208 27.0144 25.1098 S.Moal M10 0.0086 -0.1115 incorrect 2/ 28 0.0000 1.0000 55.7545 27.0849 25.1511 Zacharias M07 0.0082 -0.1437 incorrect 0/ 28 0.0000 nan 57.6064 25.9284 24.9273 S.Fernandez-Recio M08 0.0080 -0.1623 incorrect 5/ 28 0.0000 1.0000 57.6472 28.7702 26.4976 Zou M04 0.0080 -0.1637 incorrect 0/ 28 0.0000 nan 58.9728 24.9998 27.0694 HADDOCK M03 0.0079 -0.1717 incorrect 0/ 28 0.0000 nan 59.5339 24.6741 25.0631 Moal M09 0.0079 -0.1724 incorrect 0/ 28 0.0000 1.0000 57.9719 29.4423 27.3953 S.Grudinin M07 0.0079 -0.1745 incorrect 0/ 28 0.0000 nan 59.5157 25.0600 27.1378 Zou M02 0.0078 -0.1799 incorrect 17/ 28 0.0000 1.0000 58.5602 28.6353 27.2890 S.Zou M02 0.0078 -0.1799 incorrect 17/ 28 0.0000 1.0000 58.5602 28.6353 27.2890 S.Weng M03 0.0078 -0.1799 incorrect 12/ 28 0.0000 1.0000 58.5602 28.6353 27.2711 S.Grudinin M01 0.0078 -0.1806 incorrect 14/ 28 0.0000 1.0000 58.5793 28.6862 27.3394 Zou M03 0.0078 -0.1815 incorrect 4/ 28 0.0000 1.0000 67.1880 17.1827 18.8273 SWARMDOCK M01 0.0077 -0.1858 clashes,incorrect 32/ 28 0.0000 1.0000 58.6487 29.4315 27.6511 S.Grudinin M09 0.0077 -0.1877 incorrect 2/ 28 0.0000 1.0000 67.4634 17.2878 18.9413 S.Huang M09 0.0077 -0.1880 incorrect 10/ 28 0.0000 1.0000 58.7803 29.3515 27.6823 Chang M10 0.0077 -0.1882 incorrect 2/ 28 0.0000 1.0000 63.7658 19.9497 20.6241 SWARMDOCK M10 0.0077 -0.1898 clashes,incorrect 31/ 28 0.0000 1.0000 58.8575 29.4186 27.6955 SWARMDOCK M06 0.0077 -0.1898 clashes,incorrect 31/ 28 0.0000 1.0000 58.8575 29.4186 27.6955 S.Moal M02 0.0075 -0.2066 incorrect 6/ 28 0.0000 1.0000 59.9350 28.7280 26.8849 S.Venclovas M03 0.0075 -0.2081 clashes,incorrect 82/ 28 0.0000 1.0000 61.6499 24.5232 24.4341 S.Vakser M04 0.0073 -0.2196 low_id,incorrect 0/ 28 0.0000 nan 60.4127 29.5641 29.1785 S.Chang M05 0.0073 -0.2241 incorrect 12/ 28 0.0000 1.0000 60.6123 29.7538 28.3571 S.Moal M05 0.0071 -0.2349 incorrect 8/ 28 0.0000 1.0000 61.4483 29.0157 27.2591 S.Venclovas M09 0.0071 -0.2361 incorrect 27/ 28 0.0000 1.0000 64.3264 22.9896 22.3481 Zou M10 0.0071 -0.2368 incorrect 0/ 28 0.0000 nan 61.2407 30.1263 30.3516 S.Oliva M07 0.0071 -0.2368 incorrect 0/ 28 0.0000 nan 61.2407 30.1263 30.3516 Venclovas M05 0.0071 -0.2400 incorrect 0/ 28 0.0000 nan 68.3782 19.2373 21.2868 Venclovas M04 0.0071 -0.2400 incorrect 0/ 28 0.0000 nan 68.3782 19.2373 21.2868 Venclovas M03 0.0071 -0.2400 clashes,incorrect 541/ 28 0.0000 1.0000 68.3782 19.2373 21.2868 S.Zou M04 0.0071 -0.2403 incorrect 0/ 28 0.0000 nan 61.3618 30.4236 30.0879 Weng M07 0.0070 -0.2440 incorrect 0/ 28 0.0000 nan 61.4435 30.9538 29.0000 S.Grudinin M06 0.0070 -0.2464 incorrect 0/ 28 0.0000 1.0000 61.7606 30.2857 30.5260 S.Gray M05 0.0070 -0.2485 incorrect 0/ 28 0.0000 nan 66.0105 21.9407 21.6028 S.Venclovas M07 0.0070 -0.2487 clashes,incorrect 42/ 28 0.0000 1.0000 63.6563 25.5328 25.2948 DelCarpio M04 0.0070 -0.2499 incorrect 21/ 28 0.0000 1.0000 67.6872 20.3760 20.8470 DelCarpio M03 0.0070 -0.2512 incorrect 21/ 28 0.0000 1.0000 67.7789 20.3865 20.8463 Seok M07 0.0069 -0.2546 incorrect 0/ 28 0.0000 1.0000 64.6077 24.4985 24.7712 DelCarpio M07 0.0069 -0.2577 incorrect 20/ 28 0.0000 1.0000 68.1098 20.5372 20.8792 DelCarpio M02 0.0069 -0.2587 incorrect 22/ 28 0.0000 1.0000 68.3508 20.4052 20.7181 DelCarpio M10 0.0069 -0.2593 incorrect 18/ 28 0.0000 1.0000 68.2145 20.5607 20.8900 Guerois M01 0.0068 -0.2606 incorrect 0/ 28 0.0000 1.0000 62.6377 30.2162 30.5149 DelCarpio M06 0.0068 -0.2641 incorrect 18/ 28 0.0000 1.0000 68.5940 20.5605 20.8570 Kihara M05 0.0068 -0.2657 incorrect 0/ 28 0.0000 nan 63.9627 27.3093 27.6782 DelCarpio M08 0.0067 -0.2701 incorrect 18/ 28 0.0000 1.0000 69.2524 20.4254 20.8533 DelCarpio M05 0.0067 -0.2706 incorrect 18/ 28 0.0000 1.0000 69.2829 20.4357 20.8475 S.SWARMDOCK M04 0.0067 -0.2706 incorrect 18/ 28 0.0000 1.0000 69.2830 20.4357 20.8475 Huang M07 0.0067 -0.2715 incorrect 25/ 28 0.0000 1.0000 65.2917 25.3501 25.5101 Seok M08 0.0067 -0.2727 incorrect 7/ 28 0.0000 1.0000 65.8361 24.5563 24.3443 DelCarpio M09 0.0067 -0.2733 incorrect 13/ 28 0.0000 1.0000 69.2234 20.6714 21.0140 Eisenstein M01 0.0066 -0.2798 incorrect 17/ 28 0.0000 1.0000 66.7979 23.8793 23.2144 Ritchie M08 0.0066 -0.2831 incorrect 25/ 28 0.0000 1.0000 65.9715 25.6078 25.8238 Ritchie M09 0.0065 -0.2875 incorrect 0/ 28 0.0000 1.0000 69.4121 21.5496 22.2379 S.Chang M07 0.0065 -0.2888 incorrect 12/ 28 0.0000 1.0000 63.9941 31.8595 30.2770 Moal M02 0.0065 -0.2888 incorrect 12/ 28 0.0000 1.0000 63.9942 31.8595 30.2770 S.Moal M09 0.0065 -0.2902 incorrect 12/ 28 0.0000 1.0000 64.0659 31.9450 30.3508 S.Vakser M03 0.0064 -0.2949 incorrect 4/ 28 0.0000 1.0000 66.7955 25.6886 25.2047 S.Oliva M05 0.0064 -0.2991 low_id,incorrect 0/ 28 0.0000 1.0000 65.5031 29.2211 27.3328 Zou M09 0.0064 -0.3018 incorrect 2/ 28 0.0000 1.0000 67.2172 25.8608 24.8511 S.Grudinin M08 0.0064 -0.3020 incorrect 1/ 28 0.0000 1.0000 67.1915 25.9262 24.9018 Vajda,Kozakov M08 0.0063 -0.3089 incorrect 0/ 28 0.0000 nan 67.0582 27.2032 27.2419 CLUSPRO M08 0.0063 -0.3089 incorrect 0/ 28 0.0000 nan 67.0582 27.2032 27.2419 S.Gray M03 0.0061 -0.3241 incorrect 1/ 28 0.0000 1.0000 70.1073 24.2140 23.1905 S.Moal M07 0.0061 -0.3252 low_id,incorrect 0/ 28 0.0000 nan 70.1453 24.2893 25.4517 S.Venclovas M04 0.0059 -0.3399 incorrect 0/ 28 0.0000 nan 67.7694 31.4649 29.2488 Eisenstein M04 0.0059 -0.3406 incorrect 0/ 28 0.0000 nan 67.2962 33.2681 31.9553 S.Gray M02 0.0058 -0.3496 incorrect 0/ 28 0.0000 1.0000 71.6144 25.2288 24.5235 S.Vakser M10 0.0057 -0.3566 incorrect 0/ 28 0.0000 nan 70.7611 27.6006 26.7934 S.Zou M10 0.0057 -0.3566 incorrect 12/ 28 0.0000 1.0000 71.4781 26.3754 26.9430 S.Zou M06 0.0057 -0.3578 incorrect 14/ 28 0.0000 1.0000 70.8244 27.6820 26.8109 S.Weng M09 0.0057 -0.3578 incorrect 3/ 28 0.0000 1.0000 70.8244 27.6820 26.9191 S.Chang M02 0.0057 -0.3578 incorrect 14/ 28 0.0000 1.0000 70.8244 27.6820 26.8109 Vajda,Kozakov M06 0.0057 -0.3610 incorrect 0/ 28 0.0000 nan 70.5118 28.8815 28.9263 CLUSPRO M06 0.0057 -0.3610 incorrect 0/ 28 0.0000 nan 70.5118 28.8815 28.9263 S.Venclovas M06 0.0057 -0.3618 incorrect 0/ 28 0.0000 nan 71.5543 27.0181 25.8416 Vakser M10 0.0056 -0.3659 incorrect 11/ 28 0.0000 1.0000 71.6105 27.5853 25.7358 Zacharias M08 0.0056 -0.3708 incorrect 0/ 28 0.0000 nan 73.0457 26.0196 25.9531 Weng M09 0.0056 -0.3714 incorrect 0/ 28 0.0000 nan 73.2786 25.7774 27.4352 HADDOCK M04 0.0055 -0.3762 incorrect 0/ 28 0.0000 nan 71.6287 29.4064 29.3550 S.Zou M08 0.0055 -0.3793 incorrect 0/ 28 0.0000 nan 74.7480 24.9325 26.3860 S.Moal M01 0.0055 -0.3795 incorrect 6/ 28 0.0000 1.0000 70.3484 33.7149 32.2579 S.Fernandez-Recio M02 0.0054 -0.3855 incorrect 8/ 28 0.0000 1.0000 70.4336 35.3145 33.2663 Wallner M02 0.0054 -0.3879 incorrect 8/ 28 0.0000 1.0000 71.2670 33.1385 31.1796 Wallner M05 0.0053 -0.3891 incorrect 6/ 28 0.0000 1.0000 71.4184 33.0093 31.1939 Wallner M01 0.0053 -0.3895 incorrect 4/ 28 0.0000 1.0000 71.4205 33.1069 31.2652 Iwadate M01 0.0053 -0.3909 incorrect 4/ 28 0.0000 1.0000 80.6201 21.2212 21.5392 Wallner M04 0.0053 -0.3934 incorrect 5/ 28 0.0000 1.0000 71.6859 33.4052 31.5906 Wallner M09 0.0052 -0.4005 incorrect 7/ 28 0.0000 1.0000 72.4216 33.1824 31.2511 Wallner M03 0.0052 -0.4008 incorrect 10/ 28 0.0000 1.0000 72.3186 33.5655 31.6741 Seok M03 0.0052 -0.4017 incorrect 5/ 28 0.0000 1.0000 73.2726 31.1938 29.6941 Wallner M07 0.0052 -0.4018 incorrect 6/ 28 0.0000 1.0000 72.3268 33.8562 31.7602 Wallner M08 0.0052 -0.4030 incorrect 3/ 28 0.0000 1.0000 72.5206 33.6091 31.7254 S.Zou M09 0.0052 -0.4033 incorrect 8/ 28 0.0000 1.0000 72.0053 35.4395 33.4312 Moal M06 0.0052 -0.4033 incorrect 8/ 28 0.0000 1.0000 72.0053 35.4395 33.4312 S.Weng M04 0.0052 -0.4054 incorrect 0/ 28 0.0000 1.0000 72.3292 34.9992 32.6879 S.Huang M03 0.0052 -0.4054 incorrect 2/ 28 0.0000 1.0000 72.3292 34.9992 32.6196 S.Chang M01 0.0052 -0.4054 incorrect 2/ 28 0.0000 1.0000 72.3292 34.9993 32.6197 S.Gray M04 0.0051 -0.4082 incorrect 0/ 28 0.0000 1.0000 76.3274 26.8675 25.9475 S.Oliva M02 0.0051 -0.4121 low_id,incorrect 0/ 28 0.0000 nan 75.9493 28.0589 29.6889 Ritchie M01 0.0050 -0.4184 incorrect 0/ 28 0.0000 nan 80.1449 24.0408 25.3253 S.Venclovas M08 0.0050 -0.4197 incorrect 0/ 28 0.0000 1.0000 73.3643 36.2610 35.8624 HADDOCK M02 0.0050 -0.4217 incorrect 0/ 28 0.0000 nan 75.5455 30.7013 30.4209 Wallner M06 0.0050 -0.4223 incorrect 0/ 28 0.0000 1.0000 73.6941 36.0001 34.1160 Chang M09 0.0050 -0.4227 incorrect 6/ 28 0.0000 1.0000 75.7203 30.5430 30.0595 Vajda,Kozakov M04 0.0049 -0.4233 incorrect 3/ 28 0.0000 1.0000 73.8259 35.8835 33.4713 CLUSPRO M04 0.0049 -0.4233 incorrect 3/ 28 0.0000 1.0000 73.8259 35.8835 33.4713 S.Gray M01 0.0049 -0.4244 incorrect 1/ 28 0.0000 1.0000 77.1932 28.2568 27.0952 S.Bonvin M01 0.0049 -0.4265 incorrect 9/ 28 0.0000 1.0000 76.5332 29.7767 29.6962 Vajda,Kozakov M05 0.0048 -0.4363 incorrect 14/ 28 0.0000 1.0000 77.0466 30.9346 30.4006 CLUSPRO M05 0.0048 -0.4363 incorrect 14/ 28 0.0000 1.0000 77.0466 30.9346 30.4006 S.Fernandez-Recio M07 0.0048 -0.4366 incorrect 5/ 28 0.0000 1.0000 74.7600 37.4652 35.2265 S.Chang M04 0.0048 -0.4391 incorrect 2/ 28 0.0000 1.0000 77.7388 30.2024 29.9439 Guerois M04 0.0045 -0.4615 incorrect 0/ 28 0.0000 nan 77.8989 36.1210 36.7979 S.Bonvin M04 0.0045 -0.4640 low_id,incorrect 0/ 28 0.0000 nan 83.1012 27.1423 28.6925 S.Kihara M08 0.0045 -0.4644 low_id,incorrect 0/ 28 0.0000 nan 83.1262 27.1699 28.5703 Fernandez-Recio M01 0.0045 -0.4649 incorrect 0/ 28 0.0000 nan 85.9981 24.6400 25.6902 S.Bonvin M02 0.0044 -0.4672 low_id,incorrect 0/ 28 0.0000 nan 82.0941 28.9359 30.5575 S.Seok M09 0.0043 -0.4756 incorrect 0/ 28 0.0000 nan 78.4280 40.3329 38.6966 Vakser M06 0.0043 -0.4778 incorrect 15/ 28 0.0000 1.0000 78.8129 39.8194 37.3939 S.Weng M06 0.0043 -0.4780 incorrect 9/ 28 0.0000 1.0000 79.7255 36.6740 34.1122 Moal M01 0.0043 -0.4780 incorrect 10/ 28 0.0000 1.0000 79.7255 36.6740 34.2630 Gray M05 0.0043 -0.4818 incorrect 0/ 28 0.0000 1.0000 80.3930 36.1282 34.7125 Gray M08 0.0043 -0.4823 incorrect 0/ 28 0.0000 1.0000 82.8546 30.9468 29.2929 S.Oliva M08 0.0042 -0.4842 low_id,incorrect 0/ 28 0.0000 nan 83.1749 30.8773 31.7527 S.Vakser M05 0.0042 -0.4851 incorrect 2/ 28 0.0000 1.0000 82.0251 33.2105 32.5659 Vakser M05 0.0042 -0.4860 incorrect 4/ 28 0.0000 1.0000 79.7816 39.9802 37.4283 Weng M02 0.0042 -0.4863 incorrect 0/ 28 0.0000 nan 83.9620 30.1210 31.2495 Ritchie M07 0.0042 -0.4885 incorrect 0/ 28 0.0000 nan 79.8214 41.1202 39.7982 Guerois M07 0.0042 -0.4892 incorrect 0/ 28 0.0000 1.0000 83.9205 30.8270 32.2833 Chang M07 0.0041 -0.4937 incorrect 0/ 28 0.0000 nan 83.5112 32.6769 32.9831 Gray M03 0.0041 -0.4941 incorrect 0/ 28 0.0000 1.0000 81.7197 36.9909 35.5210 S.SWARMDOCK M07 0.0041 -0.4967 incorrect 0/ 28 0.0000 nan 84.2971 32.0373 30.7367 S.Huang M05 0.0041 -0.4980 incorrect 7/ 28 0.0000 1.0000 83.2554 34.4552 33.9620 S.Venclovas M02 0.0040 -0.5060 incorrect 0/ 28 0.0000 1.0000 82.2598 40.6153 39.3555 S.Bonvin M06 0.0040 -0.5071 incorrect 0/ 28 0.0000 1.0000 84.2641 35.1920 34.7127 S.Weng M02 0.0039 -0.5086 incorrect 1/ 28 0.0000 1.0000 83.8720 36.7152 34.4452 S.Vakser M01 0.0039 -0.5086 incorrect 10/ 28 0.0000 1.0000 83.8720 36.7152 34.3574 S.Huang M07 0.0039 -0.5086 incorrect 10/ 28 0.0000 1.0000 83.8720 36.7152 34.3574 S.Chang M03 0.0039 -0.5086 incorrect 10/ 28 0.0000 1.0000 83.8720 36.7152 34.3574 Gray M02 0.0039 -0.5138 incorrect 0/ 28 0.0000 1.0000 83.7357 39.3064 38.0459 HADDOCK M10 0.0039 -0.5143 incorrect 0/ 28 0.0000 nan 84.1758 38.1857 37.7911 HADDOCK M05 0.0039 -0.5147 incorrect 0/ 28 0.0000 nan 85.2094 35.6551 35.2455 S.Bonvin M10 0.0039 -0.5147 incorrect 0/ 28 0.0000 nan 85.2127 35.6565 35.2439 S.LZERD M06 0.0038 -0.5200 incorrect 7/ 28 0.0000 1.0000 84.9434 38.4269 36.7996 Gray M06 0.0038 -0.5206 incorrect 2/ 28 0.0000 1.0000 85.4187 37.3670 35.9094 S.LZERD M09 0.0038 -0.5206 incorrect 4/ 28 0.0000 1.0000 85.4227 37.3778 35.8756 Zacharias M02 0.0038 -0.5220 incorrect 0/ 28 0.0000 nan 83.8930 43.2235 41.3323 Vakser M02 0.0038 -0.5225 incorrect 15/ 28 0.0000 1.0000 83.7654 44.1373 42.9555 Chang M06 0.0038 -0.5233 incorrect 0/ 28 0.0000 nan 84.5178 41.4967 39.2753 Zacharias M09 0.0038 -0.5248 incorrect 0/ 28 0.0000 nan 88.0131 33.3123 33.0899 Huang M05 0.0037 -0.5281 incorrect 16/ 28 0.0000 1.0000 86.2422 38.3156 35.7982 S.Venclovas M05 0.0037 -0.5282 incorrect 0/ 28 0.0000 nan 85.2071 41.6916 40.3319 S.Weng M07 0.0037 -0.5307 incorrect 0/ 28 0.0000 1.0000 86.8791 37.7350 35.5864 S.Fernandez-Recio M05 0.0037 -0.5308 incorrect 15/ 28 0.0000 1.0000 87.4926 36.2921 36.0681 Fernandez-Recio M03 0.0036 -0.5345 incorrect 0/ 28 0.0000 nan 95.4657 27.0786 28.3768 Guerois M02 0.0036 -0.5351 incorrect 0/ 28 0.0000 1.0000 88.7772 35.1289 36.9982 S.Huang M02 0.0036 -0.5360 incorrect 0/ 28 0.0000 1.0000 88.4170 36.1923 35.2221 HADDOCK M01 0.0036 -0.5368 incorrect 0/ 28 0.0000 1.0000 88.4385 36.4536 35.6041 Gray M04 0.0035 -0.5428 incorrect 0/ 28 0.0000 1.0000 87.9584 40.3183 39.0735 Gray M07 0.0035 -0.5501 incorrect 1/ 28 0.0000 1.0000 89.5175 39.4738 38.3542 S.Weng M05 0.0034 -0.5519 incorrect 0/ 28 0.0000 1.0000 90.1103 38.7492 37.0824 S.Vakser M08 0.0034 -0.5519 incorrect 2/ 28 0.0000 1.0000 90.1103 38.7492 36.9960 Moal M03 0.0034 -0.5519 incorrect 2/ 28 0.0000 1.0000 90.1103 38.7492 36.9960 S.Huang M08 0.0034 -0.5519 incorrect 2/ 28 0.0000 1.0000 90.1104 38.7492 36.9960 HADDOCK M06 0.0034 -0.5541 incorrect 0/ 28 0.0000 nan 90.7928 38.1055 37.5105 S.Huang M10 0.0034 -0.5545 incorrect 0/ 28 0.0000 nan 92.1852 35.3824 35.5527 Fernandez-Recio M08 0.0034 -0.5568 incorrect 0/ 28 0.0000 nan 91.6879 37.2070 37.2299 HADDOCK M08 0.0033 -0.5607 incorrect 0/ 28 0.0000 nan 90.8711 41.0617 40.6847 S.Kihara M05 0.0033 -0.5608 incorrect 0/ 28 0.0000 nan 90.9005 41.0687 40.5082 Gray M09 0.0033 -0.5627 incorrect 0/ 28 0.0000 1.0000 92.9288 37.0232 35.7293 Huang M02 0.0033 -0.5630 incorrect 0/ 28 0.0000 1.0000 90.3012 44.3787 42.4436 S.Bonvin M08 0.0033 -0.5649 incorrect 0/ 28 0.0000 nan 92.7312 38.3881 37.5300 Gray M01 0.0032 -0.5681 incorrect 1/ 28 0.0000 1.0000 91.5012 43.4648 41.9223 S.Bonvin M09 0.0032 -0.5715 incorrect 0/ 28 0.0000 nan 94.9849 36.5317 37.2286 Zacharias M10 0.0032 -0.5740 incorrect 2/ 28 0.0000 1.0000 94.3190 38.9394 37.6815 Weng M01 0.0032 -0.5756 incorrect 0/ 28 0.0000 nan 95.9585 36.3811 37.7686 Kihara M09 0.0031 -0.5778 incorrect 0/ 28 0.0000 nan 93.1693 44.1610 45.4899 S.SWARMDOCK M09 0.0031 -0.5782 incorrect 1/ 28 0.0000 1.0000 92.7009 46.1738 44.1864 Vakser M01 0.0031 -0.5784 incorrect 0/ 28 0.0000 nan 93.2784 44.2145 42.5716 Vakser M07 0.0031 -0.5824 incorrect 0/ 28 0.0000 nan 96.3188 38.4872 37.0223 Kihara M10 0.0031 -0.5828 incorrect 0/ 28 0.0000 nan 94.9465 41.8928 43.9934 S.Kihara M07 0.0031 -0.5840 incorrect 3/ 28 0.0000 1.0000 95.9344 40.0660 39.4719 Weng M05 0.0030 -0.5857 incorrect 0/ 28 0.0000 nan 97.7588 37.2033 37.1985 S.Chang M09 0.0030 -0.5862 incorrect 2/ 28 0.0000 1.0000 95.6931 41.8851 40.8830 S.LZERD M08 0.0030 -0.5898 incorrect 3/ 28 0.0000 1.0000 95.5735 44.4406 42.8742 Vajda,Kozakov M09 0.0030 -0.5900 incorrect 0/ 28 0.0000 nan 95.1978 45.8475 44.0351 CLUSPRO M09 0.0030 -0.5900 incorrect 0/ 28 0.0000 nan 95.1978 45.8475 44.0351 Zacharias M05 0.0029 -0.5953 incorrect 0/ 28 0.0000 nan 95.4246 49.4644 47.6699 S.Seok M02 0.0029 -0.6016 incorrect 4/ 28 0.0000 1.0000 98.2897 44.2423 42.5143 Vakser M03 0.0028 -0.6033 incorrect 4/ 28 0.0000 1.0000 96.9153 50.5848 48.7271 S.Kihara M04 0.0028 -0.6036 incorrect 7/ 28 0.0000 1.0000 98.3590 45.4478 43.6894 S.Kihara M10 0.0028 -0.6050 incorrect 2/ 28 0.0000 1.0000 98.6671 45.5219 43.7274 Vajda,Kozakov M02 0.0028 -0.6050 incorrect 0/ 28 0.0000 nan 98.9002 44.8480 44.4896 CLUSPRO M02 0.0028 -0.6050 incorrect 0/ 28 0.0000 nan 98.9002 44.8480 44.4896 S.Fernandez-Recio M09 0.0028 -0.6051 incorrect 2/ 28 0.0000 1.0000 98.8700 45.0170 42.6568 S.Weng M10 0.0028 -0.6070 incorrect 0/ 28 0.0000 1.0000 99.6991 43.9054 41.7023 Shen M01 0.0028 -0.6102 incorrect 0/ 28 0.0000 nan 99.7645 46.0109 44.6422 Seok M06 0.0027 -0.6112 incorrect 0/ 28 0.0000 nan 100.4025 44.8930 43.0042 Fernandez-Recio M04 0.0027 -0.6132 incorrect 0/ 28 0.0000 nan 104.5010 37.5684 38.2381 Zacharias M04 0.0027 -0.6145 incorrect 0/ 28 0.0000 nan 100.8880 45.8427 44.9423 Weng M10 0.0027 -0.6169 incorrect 0/ 28 0.0000 nan 104.5098 39.2264 40.3562 S.Seok M03 0.0026 -0.6204 incorrect 3/ 28 0.0000 1.0000 102.6011 45.3632 43.8828 Seok M02 0.0026 -0.6211 incorrect 1/ 28 0.0000 1.0000 102.2044 47.0444 45.1402 S.LZERD M07 0.0026 -0.6236 incorrect 9/ 28 0.0000 1.0000 102.7603 47.3214 45.3460 S.Kihara M06 0.0026 -0.6249 incorrect 0/ 28 0.0000 nan 104.3273 44.0686 43.5765 S.Weng M08 0.0026 -0.6270 incorrect 0/ 28 0.0000 nan 104.4332 45.2521 44.2052 S.Bonvin M03 0.0026 -0.6270 incorrect 0/ 28 0.0000 nan 104.4333 45.2521 43.9802 Fernandez-Recio M05 0.0025 -0.6280 incorrect 0/ 28 0.0000 nan 108.9229 37.6018 38.4548 Chang M02 0.0025 -0.6327 incorrect 0/ 28 0.0000 nan 105.3343 47.1879 45.6992 Vakser M08 0.0025 -0.6345 incorrect 0/ 28 0.0000 nan 109.3514 39.9429 39.5090 Huang M10 0.0025 -0.6350 clashes,incorrect 54/ 28 0.0000 1.0000 106.2231 46.6149 45.1812 S.Venclovas M01 0.0025 -0.6351 incorrect 0/ 28 0.0000 nan 105.0850 50.1365 49.0686 Vakser M09 0.0024 -0.6374 incorrect 0/ 28 0.0000 nan 107.7494 44.6398 46.9255 Vakser M04 0.0024 -0.6379 incorrect 1/ 28 0.0000 1.0000 105.8044 50.4356 48.2619 Guerois M03 0.0024 -0.6388 incorrect 0/ 28 0.0000 nan 108.9125 43.0665 44.6965 Seok M09 0.0024 -0.6392 incorrect 0/ 28 0.0000 1.0000 106.9667 48.0316 46.2287 Kihara M02 0.0024 -0.6420 incorrect 0/ 28 0.0000 nan 106.8811 50.8693 50.8003 S.Seok M06 0.0024 -0.6430 incorrect 0/ 28 0.0000 nan 107.5538 49.7111 47.7505 Fernandez-Recio M10 0.0024 -0.6441 incorrect 0/ 28 0.0000 nan 111.0994 42.2761 42.8518 S.Gray M10 0.0023 -0.6452 incorrect 0/ 28 0.0000 1.0000 108.7165 48.2527 46.6955 Fernandez-Recio M02 0.0023 -0.6483 incorrect 0/ 28 0.0000 nan 110.8941 45.3879 45.5301 Fernandez-Recio M09 0.0023 -0.6524 incorrect 0/ 28 0.0000 nan 114.5060 41.4549 42.5085 Zacharias M06 0.0023 -0.6529 incorrect 0/ 28 0.0000 nan 109.7730 52.7160 50.5253 S.SWARMDOCK M08 0.0022 -0.6557 incorrect 0/ 28 0.0000 nan 112.4679 47.5719 47.2136 Huang M09 0.0022 -0.6578 incorrect 0/ 28 0.0000 nan 111.7107 51.7172 49.9583 Shen M08 0.0022 -0.6580 incorrect 0/ 28 0.0000 nan 111.2724 53.3358 51.6716 Takeda-Shitaka M10 0.0022 -0.6581 incorrect 0/ 28 0.0000 nan 111.2288 53.6700 52.1306 Kihara M08 0.0022 -0.6597 incorrect 0/ 28 0.0000 nan 113.7437 47.9304 50.3844 Takeda-Shitaka M05 0.0022 -0.6609 incorrect 0/ 28 0.0000 nan 112.0515 54.1494 52.6812 Guerois M08 0.0022 -0.6612 incorrect 0/ 28 0.0000 nan 115.1783 45.9944 46.7281 Fernandez-Recio M07 0.0021 -0.6671 incorrect 0/ 28 0.0000 nan 117.2108 46.4911 46.8999 S.Fernandez-Recio M01 0.0021 -0.6681 incorrect 3/ 28 0.0000 1.0000 114.5139 54.5210 52.8862 Kihara M01 0.0020 -0.6707 incorrect 0/ 28 0.0000 nan 115.1778 55.5861 56.4313 Vajda,Kozakov M01 0.0020 -0.6723 incorrect 0/ 28 0.0000 nan 115.7280 55.8360 55.7114 CLUSPRO M01 0.0020 -0.6723 incorrect 0/ 28 0.0000 nan 115.7280 55.8360 55.7114 Guerois M06 0.0019 -0.6868 incorrect 1/ 28 0.0000 1.0000 125.8953 46.4149 48.9860 Takeda-Shitaka M08 0.0018 -0.6911 incorrect 0/ 28 0.0000 nan 126.4408 49.1676 50.0955 Takeda-Shitaka M03 0.0018 -0.6919 incorrect 0/ 28 0.0000 nan 126.6866 49.4599 50.3479 Kihara M06 0.0017 -0.7004 incorrect 0/ 28 0.0000 nan 126.1977 62.0010 61.7997 Fernandez-Recio M06 0.0017 -0.7019 incorrect 0/ 28 0.0000 nan 133.1279 47.6989 48.9901 Takeda-Shitaka M04 0.0017 -0.7045 incorrect 0/ 28 0.0000 nan 129.9254 56.8258 56.3823 Takeda-Shitaka M09 0.0016 -0.7054 incorrect 0/ 28 0.0000 1.0000 130.6098 56.2561 55.7596 Guerois M05 0.0016 -0.7066 incorrect 1/ 28 0.0000 1.0000 130.4068 58.6703 59.8895 S.Moal M06 0.0016 -0.7120 incorrect 5/ 28 0.0000 1.0000 132.6290 60.9636 59.5223 Vajda,Kozakov M03 0.0015 -0.7134 incorrect 0/ 28 0.0000 nan 133.5129 60.7858 60.5032 CLUSPRO M03 0.0015 -0.7134 incorrect 0/ 28 0.0000 nan 133.5129 60.7858 60.5031 Takeda-Shitaka M01 0.0015 -0.7166 incorrect 0/ 28 0.0000 nan 136.6583 57.5208 57.2525 S.Fernandez-Recio M04 0.0015 -0.7209 incorrect 1/ 28 0.0000 1.0000 137.3117 63.0573 61.8008 Weng M08 0.0015 -0.7218 clashes,incorrect 580/ 28 0.0000 1.0000 138.9690 60.0089 59.3926 Takeda-Shitaka M06 0.0014 -0.7244 incorrect 0/ 28 0.0000 nan 140.6640 60.0865 59.5628 Guerois M09 0.0014 -0.7273 incorrect 0/ 28 0.0000 nan 141.6297 62.8592 64.7062 Weng M06 0.0013 -0.7309 incorrect 0/ 28 0.0000 1.0000 143.5875 64.5160 63.8351 Weng M04 0.0013 -0.7319 incorrect 0/ 28 0.0000 nan 144.0636 65.3090 64.5865 DelCarpio M01 0.0013 -0.7341 incorrect 0/ 28 0.0000 nan 146.0749 64.1524 64.2370 Weng M03 0.0012 -0.7415 incorrect 0/ 28 0.0000 nan 151.9506 64.5110 64.2739 Shen M02 0.0011 -0.7527 incorrect 0/ 28 0.0000 nan 159.0509 73.2687 72.1085 Shen M09 0.0011 -0.7548 incorrect 2/ 28 0.0000 1.0000 163.8259 66.4832 67.1805 Shen M10 0.0011 -0.7549 incorrect 0/ 28 0.0000 nan 161.7996 71.6521 71.2487 Kihara M03 0.0008 -0.7802 incorrect 0/ 28 0.0000 nan 190.8703 83.3738 85.8407 Kihara M04 0.0007 -0.7850 incorrect 0/ 28 0.0000 nan 197.6123 88.7144 89.7753 Kihara M07 0.0006 -0.7947 incorrect 0/ 28 0.0000 nan 215.2198 98.1370 99.8363

Target: T117.3

Group Model DockQ Zscore Classification nclash fnat fnonnat lrmsd irmsdbb irmsdsc S.Zou M04 0.2780 2.2755 incorrect 29/ 86 0.7803 0.2077 42.7402 11.9407 12.3793 S.Zou M05 0.2777 2.2724 incorrect 32/ 86 0.7803 0.2797 45.2321 10.8734 11.6489 S.Venclovas M01 0.2585 2.0490 incorrect 57/ 86 0.6144 0.4051 29.1175 4.9973 5.2567 S.Venclovas M04 0.2585 2.0490 incorrect 57/ 86 0.6144 0.4051 29.1178 4.9974 5.2568 S.Gray M09 0.2573 2.0345 incorrect 26/ 86 0.6071 0.3885 28.1028 5.0547 5.5111 S.Kihara M07 0.2564 2.0239 incorrect 29/ 86 0.6078 0.4497 29.1208 4.9920 5.4322 S.Gray M10 0.2478 1.9241 incorrect 28/ 86 0.5786 0.3864 28.5941 4.9654 5.4238 S.Kihara M06 0.2457 1.8998 incorrect 46/ 86 0.6818 0.6082 47.3987 9.5209 10.1049 S.Bonvin M01 0.2435 1.8744 incorrect 77/ 86 0.6753 0.6218 47.4079 9.5284 10.0326 S.Huang M10 0.2434 1.8723 incorrect 54/ 86 0.6753 0.5630 47.5016 9.6132 9.9878 S.Seok M09 0.2420 1.8561 incorrect 26/ 86 0.5490 0.5459 27.8202 4.7252 5.4077 Guerois M01 0.2415 1.8500 incorrect 29/ 86 0.6169 0.5153 32.2217 7.1281 7.9892 S.Moal M04 0.2393 1.8252 incorrect 67/ 86 0.6883 0.5810 67.4176 12.5749 12.7306 S.Moal M02 0.2371 1.7997 incorrect 66/ 86 0.6818 0.5882 67.4637 12.5949 12.7433 Eisenstein M06 0.2362 1.7887 incorrect 29/ 86 0.6494 0.4118 45.2475 9.3507 9.5702 S.Huang M05 0.2359 1.7855 incorrect 56/ 86 0.6818 0.5697 75.5731 12.8460 12.9587 S.Huang M06 0.2350 1.7751 incorrect 53/ 86 0.6753 0.5649 67.3172 12.5561 12.7122 S.Chang M06 0.2350 1.7751 incorrect 59/ 86 0.6753 0.5755 67.3173 12.5561 12.7122 S.Moal M05 0.2350 1.7748 incorrect 66/ 86 0.6753 0.5969 67.3690 12.5804 12.7299 Moal M01 0.2335 1.7575 incorrect 73/ 86 0.6753 0.6272 77.0965 12.9494 13.0339 S.Moal M06 0.2329 1.7498 incorrect 62/ 86 0.6688 0.5961 67.3668 12.5482 12.7119 S.SWARMDOCK M08 0.2316 1.7355 incorrect 60/ 86 0.6688 0.5929 75.4207 12.8015 12.9118 S.Venclovas M03 0.2302 1.7187 incorrect 81/ 86 0.6275 0.5200 48.1975 8.1330 8.3328 S.Venclovas M06 0.2302 1.7187 incorrect 81/ 86 0.6275 0.5200 48.2016 8.1340 8.3340 S.Venclovas M09 0.2302 1.7187 incorrect 81/ 86 0.6275 0.5200 48.1982 8.1347 8.3345 S.Venclovas M02 0.2302 1.7186 incorrect 81/ 86 0.6275 0.5200 48.2056 8.1347 8.3346 S.Venclovas M08 0.2302 1.7186 incorrect 81/ 86 0.6275 0.5200 48.2059 8.1356 8.3353 S.Venclovas M07 0.2302 1.7186 incorrect 81/ 86 0.6275 0.5200 48.2059 8.1356 8.3353 S.Venclovas M05 0.2302 1.7186 incorrect 81/ 86 0.6275 0.5200 48.2059 8.1356 8.3353 Eisenstein M07 0.2292 1.7071 incorrect 67/ 86 0.6623 0.5584 74.4036 13.3934 13.4385 Eisenstein M03 0.2279 1.6925 incorrect 36/ 86 0.6494 0.5169 59.8105 12.3109 12.6582 Eisenstein M01 0.2279 1.6917 incorrect 31/ 86 0.6429 0.4677 58.8650 10.4241 10.4899 Eisenstein M05 0.2279 1.6917 incorrect 33/ 86 0.6429 0.4620 58.8596 10.4254 10.4923 Eisenstein M04 0.2279 1.6917 incorrect 32/ 86 0.6429 0.4762 58.8668 10.4242 10.4904 S.Seok M07 0.2269 1.6801 incorrect 25/ 86 0.5098 0.5642 27.8737 4.8984 5.6082 Eisenstein M08 0.2264 1.6740 incorrect 30/ 86 0.6494 0.4505 64.4863 13.2890 13.6384 Eisenstein M02 0.2263 1.6733 incorrect 38/ 86 0.6558 0.4847 71.2876 15.6929 15.8393 Eisenstein M10 0.2255 1.6641 incorrect 24/ 86 0.6429 0.3963 63.2212 11.8227 12.4622 Guerois M06 0.2242 1.6489 incorrect 35/ 86 0.5909 0.5604 36.9382 8.3311 8.8288 Seok M03 0.2211 1.6124 incorrect 27/ 86 0.4805 0.5747 27.6242 4.5977 5.3639 Eisenstein M09 0.2208 1.6099 incorrect 28/ 86 0.6429 0.4407 79.3388 16.3966 16.6500 S.Weng M06 0.2205 1.6064 incorrect 30/ 86 0.6364 0.6157 77.0965 12.9494 13.1243 Seok M02 0.2203 1.6039 incorrect 23/ 86 0.4740 0.5576 27.3634 4.5250 5.3082 Guerois M02 0.2201 1.6008 incorrect 26/ 86 0.6169 0.4509 51.6400 11.4333 12.1290 S.Seok M10 0.2189 1.5869 incorrect 24/ 86 0.5098 0.5329 29.0145 5.5622 6.0053 S.Fernandez-Recio M05 0.2181 1.5782 incorrect 26/ 86 0.6299 0.5783 77.3928 13.2898 13.6076 S.Gray M02 0.2168 1.5627 incorrect 26/ 86 0.5786 0.5291 45.4295 7.5484 7.9032 Seok M04 0.2158 1.5509 incorrect 23/ 86 0.4545 0.5706 27.5549 4.3566 5.1908 Guerois M05 0.2155 1.5476 incorrect 25/ 86 0.5909 0.5427 50.8149 8.7719 9.3316 S.Gray M03 0.2145 1.5355 incorrect 28/ 86 0.5786 0.4969 47.0627 8.0925 8.3894 Seok M08 0.2139 1.5286 incorrect 35/ 86 0.4740 0.6667 28.6427 4.8691 5.6436 S.Gray M01 0.2132 1.5208 incorrect 33/ 86 0.5714 0.5939 45.8300 7.8818 8.1955 Guerois M08 0.2128 1.5159 incorrect 32/ 86 0.5714 0.5510 45.1151 8.1606 8.6276 Seok M06 0.2125 1.5130 incorrect 27/ 86 0.4870 0.5509 29.7593 5.2613 5.9315 Guerois M03 0.2105 1.4897 incorrect 30/ 86 0.5584 0.6261 42.5779 7.8886 8.5901 Seok M09 0.2096 1.4793 incorrect 33/ 86 0.4870 0.5763 30.8268 5.4144 6.0520 S.Grudinin M02 0.2094 1.4764 incorrect 24/ 86 0.5855 0.4027 51.6719 11.6366 12.1319 Guerois M07 0.2092 1.4736 incorrect 27/ 86 0.5844 0.5545 53.6366 10.9034 11.2211 S.Gray M05 0.2088 1.4693 incorrect 23/ 86 0.5571 0.6000 45.4590 7.8197 8.2022 S.Gray M04 0.2082 1.4622 incorrect 32/ 86 0.5500 0.5575 43.0409 7.6529 8.0629 S.Gray M07 0.2080 1.4602 incorrect 23/ 86 0.5571 0.5301 46.1061 7.9896 8.3657 Zou M01 0.2072 1.4509 incorrect 28/ 86 0.5789 0.4133 51.6533 11.6323 12.1365 S.Vakser M07 0.2067 1.4444 incorrect 76/ 86 0.5909 0.6111 73.7023 11.7897 12.0890 Seok M01 0.2053 1.4288 incorrect 30/ 86 0.4610 0.6485 29.4777 5.1505 5.9352 Zou M03 0.2051 1.4263 incorrect 33/ 86 0.5987 0.4709 83.0289 18.9602 19.1981 Guerois M09 0.2047 1.4214 incorrect 24/ 86 0.5844 0.3793 68.4468 12.3926 12.6219 Guerois M04 0.2046 1.4206 incorrect 30/ 86 0.5779 0.5782 61.8397 11.2735 11.7547 S.Moal M03 0.2045 1.4195 incorrect 80/ 86 0.5844 0.6234 73.6013 11.7648 12.0944 S.Vakser M03 0.2045 1.4191 incorrect 76/ 86 0.5844 0.6104 73.7120 11.7951 12.0690 S.Vakser M09 0.2045 1.4189 incorrect 76/ 86 0.5844 0.6104 73.7358 11.8053 12.0922 Moal M08 0.2045 1.4189 incorrect 76/ 86 0.5844 0.6104 73.7358 11.8053 12.0922 Moal M05 0.2045 1.4188 incorrect 74/ 86 0.5844 0.6070 73.7669 11.8126 12.0601 S.Vakser M02 0.2045 1.4188 incorrect 74/ 86 0.5844 0.6070 73.7670 11.8126 12.0601 Takeda-Shitaka M08 0.2038 1.4108 incorrect 85/ 86 0.5584 0.5222 51.1023 9.1843 9.5272 Zou M06 0.2033 1.4055 incorrect 30/ 86 0.5855 0.5241 65.8450 16.6541 17.3707 S.Fernandez-Recio M01 0.2028 1.3995 incorrect 39/ 86 0.5844 0.6429 77.4716 13.5588 13.7702 S.Vakser M05 0.2023 1.3937 incorrect 75/ 86 0.5779 0.6130 73.7556 11.7985 12.0963 Moal M09 0.2017 1.3869 incorrect 79/ 86 0.5779 0.6603 65.8512 14.3092 14.6776 S.Kihara M09 0.2008 1.3761 incorrect 50/ 86 0.5909 0.6009 98.6163 23.3523 23.1774 S.Grudinin M09 0.2007 1.3751 incorrect 32/ 86 0.5855 0.4540 82.9951 18.9246 19.1684 Moal M07 0.1995 1.3615 incorrect 84/ 86 0.5714 0.6704 65.8878 14.3219 14.7080 Moal M04 0.1995 1.3615 incorrect 85/ 86 0.5714 0.6692 65.8942 14.3213 14.7036 Vakser M04 0.1987 1.3517 incorrect 53/ 86 0.5752 0.6667 77.2878 15.7875 15.9672 Seok M07 0.1984 1.3486 incorrect 29/ 86 0.4221 0.6348 27.7520 4.8459 5.7225 S.Seok M05 0.1978 1.3407 incorrect 30/ 86 0.5229 0.5556 45.1945 7.7387 8.1652 Zou M08 0.1964 1.3246 incorrect 36/ 86 0.5592 0.5792 61.7372 14.0242 14.5169 S.Chang M10 0.1964 1.3246 incorrect 36/ 86 0.5592 0.5792 61.7372 14.0242 14.5169 S.Grudinin M05 0.1964 1.3246 incorrect 40/ 86 0.5592 0.5833 61.7512 14.0198 14.5131 Takeda-Shitaka M10 0.1952 1.3115 incorrect 84/ 86 0.5390 0.5538 54.2521 9.8244 10.6655 S.Seok M06 0.1952 1.3109 incorrect 31/ 86 0.5163 0.6127 45.6311 7.7886 8.1153 S.Seok M08 0.1946 1.3040 incorrect 32/ 86 0.5163 0.6256 45.0661 8.0982 8.4958 Zou M02 0.1937 1.2937 incorrect 34/ 86 0.5461 0.4970 56.3393 13.1724 13.5112 S.Zou M02 0.1937 1.2937 incorrect 34/ 86 0.5461 0.4970 56.3393 13.1724 13.5112 Takeda-Shitaka M09 0.1931 1.2859 incorrect 37/ 86 0.5325 0.4459 51.6031 10.4328 10.8813 S.Grudinin M01 0.1916 1.2692 incorrect 40/ 86 0.5395 0.5030 56.1289 13.0987 13.4442 S.Seok M04 0.1898 1.2483 incorrect 32/ 86 0.5033 0.5969 46.9785 7.9391 8.3420 Seok M05 0.1885 1.2326 incorrect 30/ 86 0.4351 0.6794 31.7871 5.7556 6.4243 Vakser M05 0.1858 1.2012 incorrect 72/ 86 0.5065 0.7685 49.8131 9.8702 9.9696 S.Weng M03 0.1849 1.1911 incorrect 18/ 86 0.5197 0.5153 56.3393 13.1724 13.4627 Seok M10 0.1849 1.1910 incorrect 34/ 86 0.5065 0.6321 47.3581 11.3985 12.3047 Takeda-Shitaka M06 0.1845 1.1860 incorrect 30/ 86 0.5065 0.4307 50.3136 10.7248 11.1387 Takeda-Shitaka M03 0.1832 1.1705 incorrect 68/ 86 0.4934 0.4932 49.4358 8.9455 9.2874 Takeda-Shitaka M01 0.1775 1.1048 incorrect 32/ 86 0.4868 0.4676 50.9331 10.8810 11.2540 Takeda-Shitaka M04 0.1764 1.0912 incorrect 45/ 86 0.4803 0.4552 50.0941 10.3006 10.6767 S.Fernandez-Recio M04 0.1695 1.0116 incorrect 31/ 86 0.4805 0.6682 67.8298 13.2821 13.4967 Vakser M01 0.1694 1.0107 clashes,incorrect 108/ 86 0.4870 0.7741 76.1429 15.7256 15.9675 S.Fernandez-Recio M06 0.1683 0.9972 incorrect 31/ 86 0.4935 0.6935 99.0983 23.5568 23.4596 Takeda-Shitaka M05 0.1674 0.9872 incorrect 80/ 86 0.4539 0.5965 53.1543 9.6814 10.4021 Weng M07 0.1427 0.6995 clashes,incorrect 93/ 86 0.3506 0.7049 39.9399 7.9605 9.0022 Weng M03 0.1406 0.6746 clashes,incorrect 95/ 86 0.3442 0.7039 39.9399 7.9605 9.0480 Shen M07 0.1388 0.6541 incorrect 33/ 86 0.3701 0.7511 48.1908 11.6696 12.2936 Weng M01 0.1384 0.6494 clashes,incorrect 96/ 86 0.3377 0.7062 39.9399 7.9605 9.0676 Shen M01 0.1367 0.6296 incorrect 23/ 86 0.3636 0.7282 48.0025 11.6828 12.3179 Weng M10 0.1363 0.6241 clashes,incorrect 90/ 86 0.3312 0.7151 39.9399 7.9605 9.1032 Weng M09 0.1363 0.6241 clashes,incorrect 92/ 86 0.3312 0.7102 39.9399 7.9605 9.1031 Weng M08 0.1363 0.6241 clashes,incorrect 89/ 86 0.3312 0.7167 39.9399 7.9605 9.0192 Weng M05 0.1363 0.6241 clashes,incorrect 93/ 86 0.3312 0.7119 39.9399 7.9605 9.0339 Weng M04 0.1363 0.6241 clashes,incorrect 93/ 86 0.3312 0.7182 39.9399 7.9605 9.0300 Shen M04 0.1346 0.6042 incorrect 24/ 86 0.3571 0.7588 48.0415 11.6804 12.2968 Weng M06 0.1341 0.5989 clashes,incorrect 90/ 86 0.3247 0.7207 39.9399 7.9605 9.0549 Shen M03 0.1323 0.5783 incorrect 25/ 86 0.3506 0.7568 48.1221 11.7035 12.3036 Shen M09 0.1323 0.5778 incorrect 26/ 86 0.3506 0.7578 48.1793 11.7258 12.3226 Shen M08 0.1323 0.5777 incorrect 24/ 86 0.3506 0.7652 48.1736 11.7320 12.3246 Weng M02 0.1319 0.5736 clashes,incorrect 92/ 86 0.3182 0.7200 39.9399 7.9605 9.0416 Grudinin M02 0.1305 0.5566 incorrect 24/ 86 0.3137 0.6308 39.9708 7.9379 8.8993 Shen M10 0.1301 0.5523 incorrect 26/ 86 0.3442 0.7655 48.2577 11.7463 12.3490 Shen M02 0.1301 0.5521 incorrect 19/ 86 0.3442 0.7500 48.3279 11.7392 12.3359 Chang M06 0.1289 0.5388 incorrect 21/ 86 0.2792 0.6195 32.2628 7.0991 8.0445 Chang M02 0.1289 0.5386 incorrect 21/ 86 0.2792 0.6195 32.2730 7.0989 8.0415 Chang M01 0.1289 0.5386 incorrect 22/ 86 0.2792 0.6161 32.2730 7.0996 8.0425 S.Weng M01 0.1213 0.4498 incorrect 15/ 86 0.3289 0.6429 56.7011 13.0320 13.5591 Zou M10 0.1191 0.4240 incorrect 19/ 86 0.3026 0.6034 41.9242 12.0659 12.6561 S.Oliva M07 0.1191 0.4240 incorrect 19/ 86 0.3026 0.6034 41.9242 12.0659 12.6561 S.Grudinin M06 0.1190 0.4225 incorrect 23/ 86 0.3026 0.6034 42.0718 12.1178 12.7164 Chang M03 0.1179 0.4102 incorrect 28/ 86 0.1753 0.8541 27.2239 4.7806 5.9201 S.Grudinin M08 0.1150 0.3762 incorrect 41/ 86 0.2961 0.6018 47.6623 11.0536 11.9739 Chang M04 0.1093 0.3101 incorrect 34/ 86 0.1494 0.8827 27.2799 4.7671 5.9050 Zou M09 0.1088 0.3040 incorrect 16/ 86 0.2763 0.6283 46.9995 10.9402 11.8471 S.Grudinin M03 0.1082 0.2973 incorrect 18/ 86 0.2895 0.6812 56.5716 13.0062 13.5484 Zou M05 0.1060 0.2711 incorrect 16/ 86 0.2829 0.6906 56.7011 13.0320 13.5781 S.Zou M01 0.1060 0.2711 incorrect 16/ 86 0.2829 0.6906 56.7011 13.0320 13.5781 S.Huang M01 0.1060 0.2711 incorrect 16/ 86 0.2829 0.6906 56.7011 13.0320 13.5781 Grudinin M01 0.1044 0.2530 incorrect 11/ 86 0.2549 0.6100 45.5577 9.4142 10.2895 Vajda,Kozakov M10 0.0958 0.1524 clashes,incorrect 95/ 86 0.2366 0.7281 50.3644 9.7557 10.0067 Vajda,Kozakov M02 0.0958 0.1524 clashes,incorrect 93/ 86 0.2366 0.7257 50.3644 9.7557 9.9981 CLUSPRO M10 0.0958 0.1524 clashes,incorrect 95/ 86 0.2366 0.7281 50.3644 9.7557 10.0067 CLUSPRO M02 0.0958 0.1524 clashes,incorrect 93/ 86 0.2366 0.7257 50.3644 9.7557 9.9980 Vajda,Kozakov M09 0.0933 0.1228 clashes,incorrect 94/ 86 0.2290 0.7321 50.3644 9.7557 10.0028 Vajda,Kozakov M08 0.0933 0.1228 clashes,incorrect 95/ 86 0.2290 0.7345 50.3644 9.7557 10.0016 Vajda,Kozakov M05 0.0933 0.1228 clashes,incorrect 92/ 86 0.2290 0.7345 50.3644 9.7557 9.9999 Vajda,Kozakov M03 0.0933 0.1228 clashes,incorrect 92/ 86 0.2290 0.7345 50.3644 9.7557 9.9982 CLUSPRO M09 0.0933 0.1228 clashes,incorrect 94/ 86 0.2290 0.7321 50.3644 9.7557 10.0028 CLUSPRO M08 0.0933 0.1228 clashes,incorrect 95/ 86 0.2290 0.7345 50.3644 9.7557 10.0015 CLUSPRO M05 0.0933 0.1228 clashes,incorrect 92/ 86 0.2290 0.7345 50.3644 9.7557 9.9999 CLUSPRO M03 0.0933 0.1228 clashes,incorrect 92/ 86 0.2290 0.7345 50.3644 9.7557 9.9982 Vajda,Kozakov M01 0.0910 0.0959 incorrect 43/ 86 0.2214 0.7339 50.2509 9.6400 9.9212 CLUSPRO M01 0.0910 0.0959 incorrect 43/ 86 0.2214 0.7339 50.2509 9.6400 9.9212 Vajda,Kozakov M06 0.0833 0.0062 incorrect 45/ 86 0.1985 0.7320 50.3039 9.6672 9.9584 CLUSPRO M06 0.0833 0.0062 incorrect 45/ 86 0.1985 0.7320 50.3039 9.6672 9.9584 S.Kihara M05 0.0775 -0.0607 incorrect 12/ 86 0.1039 0.8351 31.1988 5.9617 6.8004 HADDOCK M05 0.0765 -0.0724 incorrect 11/ 86 0.0974 0.8421 30.7356 5.8808 6.7891 HADDOCK M06 0.0762 -0.0756 incorrect 10/ 86 0.0974 0.8404 30.5367 5.9683 6.8573 S.Bonvin M10 0.0743 -0.0977 incorrect 11/ 86 0.0909 0.8511 30.7367 5.8815 6.7902 HADDOCK M08 0.0710 -0.1364 incorrect 6/ 86 0.0844 0.8632 31.1837 5.9635 6.8669 S.Bonvin M09 0.0692 -0.1577 incorrect 5/ 86 0.0909 0.7705 31.0494 6.7582 7.6166 S.Bonvin M08 0.0688 -0.1624 incorrect 10/ 86 0.1364 0.6866 39.4936 9.2348 10.0392 HADDOCK M10 0.0687 -0.1631 incorrect 5/ 86 0.0974 0.8387 34.1589 6.5065 7.3939 HADDOCK M07 0.0679 -0.1733 incorrect 9/ 86 0.1169 0.7931 37.1475 7.6633 8.5764 Zacharias M09 0.0610 -0.2530 incorrect 2/ 86 0.1143 0.7143 45.4408 7.8838 8.3575 Zacharias M07 0.0574 -0.2957 incorrect 4/ 86 0.0286 0.9706 26.9187 6.3543 7.0883 Grudinin M03 0.0554 -0.3189 incorrect 18/ 86 0.0719 0.8750 32.4859 8.5135 9.1549 HADDOCK M04 0.0548 -0.3258 incorrect 8/ 86 0.0779 0.8571 37.2037 7.6735 8.5487 HADDOCK M01 0.0540 -0.3346 incorrect 9/ 86 0.1039 0.8351 45.6203 9.4482 10.2967 Wallner M07 0.0525 -0.3522 incorrect 3/ 86 0.0000 1.0000 24.7471 6.4051 7.3598 Zacharias M02 0.0495 -0.3875 incorrect 9/ 86 0.1143 0.9111 60.3363 12.2975 12.8507 S.Bonvin M06 0.0486 -0.3982 incorrect 8/ 86 0.0844 0.8617 44.5882 9.1416 9.9425 Gray M10 0.0476 -0.4088 incorrect 2/ 86 0.0000 1.0000 25.4147 7.1336 7.9764 S.Bonvin M07 0.0463 -0.4249 incorrect 5/ 86 0.0649 0.8947 40.6197 8.2571 9.1528 S.Fernandez-Recio M07 0.0444 -0.4469 incorrect 3/ 86 0.0065 0.9833 37.5099 5.1646 5.8220 S.LZERD M04 0.0442 -0.4491 incorrect 5/ 86 0.0000 1.0000 25.7344 7.9709 8.9460 Moal M06 0.0441 -0.4503 incorrect 9/ 86 0.0000 1.0000 38.1923 4.9191 5.6011 S.Zou M09 0.0441 -0.4503 incorrect 9/ 86 0.0000 1.0000 38.1924 4.9191 5.6011 S.LZERD M01 0.0433 -0.4590 incorrect 3/ 86 0.0000 1.0000 26.4737 7.6992 8.6561 Fernandez-Recio M05 0.0432 -0.4608 incorrect 2/ 86 0.0000 1.0000 29.1582 6.4540 7.1841 S.LZERD M02 0.0430 -0.4635 incorrect 1/ 86 0.0000 1.0000 26.5581 7.7689 8.7036 S.Kihara M01 0.0411 -0.4851 incorrect 5/ 86 0.0000 1.0000 39.6562 5.1080 5.8727 S.Seok M01 0.0396 -0.5028 incorrect 4/ 86 0.0000 1.0000 27.9862 7.9591 8.9195 S.LZERD M03 0.0393 -0.5056 incorrect 3/ 86 0.0000 1.0000 29.2590 7.3296 8.1772 S.Oliva M10 0.0383 -0.5177 low_id,incorrect 48/ 86 0.0000 1.0000 32.9260 6.3762 6.6116 S.LZERD M05 0.0382 -0.5191 incorrect 1/ 86 0.0000 1.0000 28.9311 7.8659 8.7163 Zacharias M03 0.0381 -0.5196 incorrect 2/ 86 0.0000 1.0000 41.4187 5.3061 6.1977 S.Zou M08 0.0379 -0.5221 incorrect 12/ 86 0.0000 1.0000 40.8262 5.3762 5.8955 S.Oliva M02 0.0372 -0.5302 low_id,incorrect 52/ 86 0.0000 1.0000 41.6208 5.3988 5.8845 Zacharias M10 0.0371 -0.5318 incorrect 0/ 86 0.0000 1.0000 31.0640 7.1980 7.9561 Chang M10 0.0369 -0.5336 incorrect 13/ 86 0.0000 1.0000 41.8653 5.4168 5.8946 Chang M08 0.0369 -0.5336 incorrect 13/ 86 0.0000 1.0000 41.8575 5.4175 5.8939 Chang M09 0.0369 -0.5337 incorrect 13/ 86 0.0000 1.0000 41.8633 5.4174 5.8945 SWARMDOCK M05 0.0365 -0.5385 incorrect 2/ 86 0.0000 1.0000 33.5771 6.5842 7.6158 Ritchie M01 0.0352 -0.5536 incorrect 0/ 86 0.0000 nan 28.5716 9.4905 10.3559 S.Oliva M03 0.0349 -0.5570 low_id,incorrect 8/ 86 0.0000 1.0000 29.2807 8.9918 9.7414 S.Grudinin M04 0.0331 -0.5784 incorrect 4/ 86 0.0066 0.9846 41.7370 6.3497 6.7035 Zou M04 0.0327 -0.5829 incorrect 9/ 86 0.0000 1.0000 45.5924 5.7103 6.4100 Zou M07 0.0327 -0.5833 incorrect 6/ 86 0.0066 0.9857 41.9240 6.4074 6.7540 S.Zou M07 0.0327 -0.5833 incorrect 6/ 86 0.0066 0.9857 41.9240 6.4074 6.7540 S.Grudinin M07 0.0321 -0.5900 incorrect 5/ 86 0.0000 1.0000 45.6777 5.7933 6.4868 Chang M07 0.0321 -0.5903 incorrect 4/ 86 0.0000 1.0000 44.3826 5.8932 6.4694 Chang M05 0.0321 -0.5906 incorrect 5/ 86 0.0000 1.0000 44.3813 5.8969 6.4648 HADDOCK M03 0.0306 -0.6080 incorrect 3/ 86 0.0000 1.0000 34.6342 7.8912 8.3046 Zacharias M05 0.0300 -0.6146 incorrect 6/ 86 0.0000 1.0000 33.7115 8.5013 8.9871 Grudinin M08 0.0298 -0.6165 incorrect 5/ 86 0.0458 0.9014 49.1801 12.2915 12.9119 Grudinin M06 0.0298 -0.6172 incorrect 1/ 86 0.0654 0.8649 66.2810 17.0173 17.3285 S.SWARMDOCK M03 0.0295 -0.6206 incorrect 44/ 86 0.0195 0.9727 46.9987 7.6260 7.8555 S.Weng M05 0.0292 -0.6243 incorrect 6/ 86 0.0130 0.9615 54.5381 6.4858 7.0788 S.Vakser M08 0.0292 -0.6243 incorrect 10/ 86 0.0130 0.9643 54.5381 6.4858 7.2073 S.Huang M08 0.0292 -0.6243 incorrect 10/ 86 0.0130 0.9643 54.5381 6.4858 7.2073 Moal M03 0.0292 -0.6243 incorrect 10/ 86 0.0130 0.9643 54.5381 6.4858 7.2073 Wallner M06 0.0281 -0.6368 incorrect 4/ 86 0.0000 1.0000 43.2488 6.7490 7.5360 S.Fernandez-Recio M09 0.0280 -0.6376 incorrect 2/ 86 0.0000 1.0000 41.7800 6.9671 7.5456 Fernandez-Recio M01 0.0273 -0.6459 incorrect 3/ 86 0.0000 1.0000 35.8616 8.7212 9.0000 Fernandez-Recio M04 0.0270 -0.6496 incorrect 1/ 86 0.0000 1.0000 39.9475 7.5840 8.2331 Shen M06 0.0269 -0.6511 incorrect 0/ 86 0.0000 nan 33.8754 10.1568 10.4838 HADDOCK M02 0.0267 -0.6528 incorrect 2/ 86 0.0000 1.0000 38.9172 7.9227 8.3059 DelCarpio M10 0.0248 -0.6753 incorrect 0/ 86 0.0000 nan 32.5158 14.6372 16.0159 S.LZERD M10 0.0245 -0.6783 incorrect 2/ 86 0.0000 1.0000 38.7158 8.9063 9.7719 S.SWARMDOCK M06 0.0241 -0.6827 incorrect 21/ 86 0.0000 1.0000 43.2767 7.8421 8.4196 Grudinin M04 0.0240 -0.6840 incorrect 3/ 86 0.0458 0.8833 65.9037 14.9741 15.3928 GRAMM-X M06 0.0234 -0.6910 incorrect 41/ 86 0.0000 1.0000 42.5401 8.2626 8.8066 Zacharias M04 0.0229 -0.6969 incorrect 5/ 86 0.0000 1.0000 44.4102 8.0647 8.7171 Ritchie M02 0.0227 -0.7001 incorrect 31/ 86 0.0000 1.0000 41.2008 8.9800 9.5541 Vajda,Kozakov M07 0.0226 -0.7006 incorrect 2/ 86 0.0000 1.0000 43.8917 8.2912 8.6771 CLUSPRO M07 0.0226 -0.7006 incorrect 2/ 86 0.0000 1.0000 43.8917 8.2912 8.6772 Zacharias M06 0.0222 -0.7051 incorrect 4/ 86 0.0286 0.9565 56.4191 11.8093 12.3842 Zacharias M01 0.0221 -0.7067 incorrect 7/ 86 0.0000 1.0000 44.3806 8.4017 9.1803 S.Oliva M08 0.0219 -0.7085 low_id,clashes,incorrect 104/ 86 0.0000 1.0000 45.8475 8.1744 8.4186 DelCarpio M01 0.0218 -0.7103 incorrect 59/ 86 0.0195 0.9817 41.5684 19.7878 20.9877 S.Kihara M08 0.0218 -0.7105 low_id,incorrect 39/ 86 0.0000 1.0000 40.0309 9.9689 10.4574 S.Bonvin M04 0.0218 -0.7106 low_id,incorrect 23/ 86 0.0000 1.0000 40.0419 9.9700 10.4897 GRAMM-X M02 0.0214 -0.7142 incorrect 35/ 86 0.0000 1.0000 45.7967 8.3800 8.5624 Shen M05 0.0214 -0.7150 incorrect 0/ 86 0.0000 nan 37.8100 11.7559 12.3471 GRAMM-X M04 0.0214 -0.7152 incorrect 17/ 86 0.0000 1.0000 45.5718 8.4634 8.7065 LZERD M10 0.0212 -0.7165 incorrect 0/ 86 0.0000 nan 39.6008 10.5801 11.3681 S.Grudinin M10 0.0211 -0.7177 incorrect 4/ 86 0.0000 1.0000 42.4389 9.3945 10.3753 LZERD M09 0.0211 -0.7185 incorrect 0/ 86 0.0000 nan 40.0021 10.4936 11.3242 Zacharias M08 0.0209 -0.7209 incorrect 0/ 86 0.0000 1.0000 48.3093 8.1743 8.9333 SWARMDOCK M03 0.0207 -0.7224 incorrect 4/ 86 0.0000 1.0000 42.8939 9.4793 10.4342 S.Oliva M05 0.0203 -0.7271 low_id,incorrect 9/ 86 0.0000 1.0000 41.8318 10.1553 10.7601 LZERD M07 0.0199 -0.7319 incorrect 9/ 86 0.0000 1.0000 45.0817 9.2807 9.8653 Vajda,Kozakov M04 0.0198 -0.7328 incorrect 5/ 86 0.0000 1.0000 49.7524 8.3616 8.9017 CLUSPRO M04 0.0198 -0.7328 incorrect 5/ 86 0.0000 1.0000 49.7524 8.3616 8.9017 S.Gray M06 0.0192 -0.7400 incorrect 4/ 86 0.0000 1.0000 44.5432 9.8721 10.2101 HADDOCK M09 0.0192 -0.7406 incorrect 1/ 86 0.0000 1.0000 42.1439 10.9382 11.3770 S.Gray M08 0.0191 -0.7418 incorrect 4/ 86 0.0000 1.0000 44.6737 9.9333 10.2115 S.Bonvin M02 0.0189 -0.7444 low_id,incorrect 20/ 86 0.0000 1.0000 47.1841 9.3408 9.6973 S.SWARMDOCK M07 0.0187 -0.7463 incorrect 1/ 86 0.0000 1.0000 46.0608 9.7476 10.3197 S.Moal M01 0.0186 -0.7473 incorrect 6/ 86 0.0000 1.0000 46.0577 9.8031 10.3189 S.Chang M05 0.0184 -0.7498 incorrect 13/ 86 0.0000 1.0000 49.2684 9.1327 9.6795 SWARMDOCK M02 0.0184 -0.7503 incorrect 3/ 86 0.0000 1.0000 50.8007 8.8671 9.3498 Fernandez-Recio M03 0.0183 -0.7504 incorrect 9/ 86 0.0000 1.0000 45.8169 10.0585 10.4790 Wallner M05 0.0182 -0.7519 incorrect 2/ 86 0.0000 1.0000 45.0842 10.4209 10.9040 S.Huang M02 0.0182 -0.7522 incorrect 6/ 86 0.0000 1.0000 51.0820 8.9031 9.1665 Vakser M07 0.0182 -0.7524 incorrect 56/ 86 0.0000 1.0000 46.1974 10.0565 10.5497 SWARMDOCK M10 0.0180 -0.7538 incorrect 16/ 86 0.0000 1.0000 46.4373 10.0683 10.4102 SWARMDOCK M06 0.0180 -0.7538 incorrect 16/ 86 0.0000 1.0000 46.4373 10.0683 10.4102 S.Kihara M03 0.0180 -0.7542 low_id,incorrect 21/ 86 0.0000 1.0000 44.1918 10.9634 11.6250 S.Moal M07 0.0177 -0.7579 low_id,incorrect 7/ 86 0.0000 1.0000 47.7340 9.9192 10.5114 Takeda-Shitaka M02 0.0176 -0.7588 incorrect 0/ 86 0.0000 1.0000 45.8974 10.5818 11.0470 S.Oliva M04 0.0176 -0.7593 low_id,incorrect 79/ 86 0.0000 1.0000 47.7377 10.0047 10.5873 Kihara M05 0.0175 -0.7605 incorrect 5/ 86 0.0000 1.0000 49.6448 9.5804 10.2575 Fernandez-Recio M06 0.0174 -0.7609 incorrect 0/ 86 0.0000 nan 41.7881 13.2818 14.0808 Takeda-Shitaka M07 0.0173 -0.7629 incorrect 1/ 86 0.0000 1.0000 46.4421 10.6656 11.1227 S.SWARMDOCK M09 0.0171 -0.7649 incorrect 46/ 86 0.0000 1.0000 52.7985 9.1785 9.5824 Huang M07 0.0171 -0.7649 incorrect 46/ 86 0.0000 1.0000 52.7985 9.1785 9.5824 Huang M02 0.0171 -0.7649 incorrect 46/ 86 0.0000 1.0000 52.7984 9.1786 9.5824 Guerois M10 0.0171 -0.7650 incorrect 21/ 86 0.0000 1.0000 50.2622 9.6811 10.0914 Vakser M06 0.0169 -0.7667 incorrect 47/ 86 0.0000 1.0000 49.8497 9.8734 9.9587 Wallner M02 0.0169 -0.7677 incorrect 5/ 86 0.0000 1.0000 50.8737 9.6900 9.9711 SWARMDOCK M01 0.0165 -0.7714 incorrect 11/ 86 0.0000 1.0000 54.9251 9.1402 9.5370 S.SWARMDOCK M10 0.0163 -0.7743 incorrect 30/ 86 0.0000 1.0000 54.2169 9.3932 9.8275 S.Vakser M04 0.0162 -0.7759 low_id,incorrect 49/ 86 0.0000 1.0000 53.6579 9.5705 9.7210 Grudinin M10 0.0160 -0.7772 incorrect 7/ 86 0.0000 1.0000 50.2764 10.4131 10.9358 SWARMDOCK M08 0.0159 -0.7789 incorrect 0/ 86 0.0000 nan 45.1652 12.8354 13.2916 S.Weng M02 0.0158 -0.7800 incorrect 14/ 86 0.0000 1.0000 63.7992 8.5345 8.9027 S.Chang M03 0.0158 -0.7800 incorrect 28/ 86 0.0000 1.0000 63.7992 8.5345 8.9540 S.Vakser M01 0.0158 -0.7800 incorrect 28/ 86 0.0000 1.0000 63.7993 8.5345 8.9540 S.Huang M07 0.0158 -0.7800 incorrect 28/ 86 0.0000 1.0000 63.7993 8.5345 8.9540 S.SWARMDOCK M01 0.0157 -0.7810 incorrect 4/ 86 0.0000 1.0000 51.7181 10.2791 10.9061 Vakser M10 0.0156 -0.7826 incorrect 52/ 86 0.0065 0.9964 55.2224 11.3735 11.8395 Grudinin M05 0.0154 -0.7847 incorrect 12/ 86 0.0065 0.9898 59.6764 10.5547 11.0546 S.Zou M10 0.0154 -0.7847 incorrect 31/ 86 0.0000 1.0000 55.2753 9.7589 9.7540 S.Chang M07 0.0153 -0.7860 incorrect 4/ 86 0.0000 1.0000 55.9768 9.7058 9.9397 Moal M02 0.0153 -0.7860 incorrect 4/ 86 0.0000 1.0000 55.9768 9.7058 9.9397 S.Moal M09 0.0153 -0.7862 incorrect 4/ 86 0.0000 1.0000 56.0106 9.7129 9.9504 Wallner M01 0.0150 -0.7890 incorrect 1/ 86 0.0000 1.0000 51.7197 10.8396 11.2679 Gray M08 0.0150 -0.7890 incorrect 1/ 86 0.0000 1.0000 52.5725 10.6094 11.1892 S.Fernandez-Recio M08 0.0149 -0.7902 incorrect 13/ 86 0.0000 1.0000 58.7845 9.5064 10.0917 S.Oliva M09 0.0149 -0.7910 low_id,clashes,incorrect 111/ 86 0.0000 1.0000 57.1302 9.7975 9.7826 Ritchie M09 0.0147 -0.7923 incorrect 28/ 86 0.0000 1.0000 58.0524 9.7243 9.9807 S.Weng M07 0.0147 -0.7924 incorrect 2/ 86 0.0000 1.0000 64.4101 8.9877 9.3815 S.Chang M04 0.0147 -0.7926 incorrect 10/ 86 0.0000 1.0000 58.4837 9.6767 9.8460 Vakser M08 0.0147 -0.7927 incorrect 79/ 86 0.0000 1.0000 53.4409 10.6520 11.1209 S.Seok M03 0.0147 -0.7927 incorrect 19/ 86 0.0000 1.0000 52.8822 10.7979 11.5091 Moal M10 0.0147 -0.7929 incorrect 18/ 86 0.0000 1.0000 58.9557 9.6231 10.0875 S.Huang M04 0.0147 -0.7929 incorrect 18/ 86 0.0000 1.0000 58.9558 9.6232 10.0875 S.Moal M10 0.0147 -0.7934 incorrect 24/ 86 0.0000 1.0000 59.0279 9.6391 10.1032 S.Vakser M06 0.0146 -0.7934 low_id,incorrect 62/ 86 0.0000 1.0000 52.4378 10.9750 11.7013 DelCarpio M02 0.0145 -0.7949 incorrect 25/ 86 0.0130 0.9811 55.3018 17.2701 18.8325 S.Fernandez-Recio M02 0.0144 -0.7960 incorrect 4/ 86 0.0000 1.0000 57.2520 10.0659 10.3289 Ritchie M04 0.0144 -0.7964 incorrect 21/ 86 0.0000 1.0000 56.3287 10.2654 10.4430 Ritchie M07 0.0141 -0.8000 incorrect 0/ 86 0.0000 1.0000 65.8984 9.2000 9.7068 S.Moal M08 0.0140 -0.8011 low_id,incorrect 16/ 86 0.0000 1.0000 51.7523 11.8734 12.2364 Wallner M03 0.0139 -0.8016 incorrect 4/ 86 0.0000 1.0000 54.4809 11.0583 11.2214 Ritchie M08 0.0139 -0.8021 incorrect 35/ 86 0.0000 1.0000 52.4962 11.7012 12.0605 S.Huang M09 0.0138 -0.8031 incorrect 9/ 86 0.0000 1.0000 54.5521 11.1610 11.5231 SWARMDOCK M07 0.0137 -0.8041 incorrect 28/ 86 0.0000 1.0000 53.0756 11.6923 12.3321 S.SWARMDOCK M05 0.0137 -0.8041 incorrect 28/ 86 0.0000 1.0000 53.0757 11.6923 12.3320 S.Weng M10 0.0137 -0.8045 incorrect 1/ 86 0.0000 1.0000 65.4310 9.4634 9.7831 GRAMM-X M05 0.0136 -0.8058 incorrect 31/ 86 0.0000 1.0000 55.8169 11.0514 11.4578 Ritchie M03 0.0135 -0.8068 incorrect 19/ 86 0.0000 1.0000 53.9044 11.6712 12.0745 Gray M09 0.0133 -0.8087 incorrect 0/ 86 0.0000 1.0000 55.8641 11.2757 11.8030 S.LZERD M08 0.0133 -0.8091 incorrect 11/ 86 0.0000 1.0000 55.1290 11.5159 12.0901 S.Bonvin M05 0.0133 -0.8092 incorrect 0/ 86 0.0000 1.0000 55.7108 11.3607 11.7059 DelCarpio M04 0.0131 -0.8112 incorrect 0/ 86 0.0000 nan 47.6183 16.2229 17.5999 DelCarpio M03 0.0131 -0.8114 incorrect 0/ 86 0.0000 nan 47.6443 16.2271 17.6045 S.Fernandez-Recio M10 0.0131 -0.8120 incorrect 5/ 86 0.0000 1.0000 55.4636 11.6845 12.1190 S.Weng M04 0.0130 -0.8121 incorrect 24/ 86 0.0000 1.0000 61.8709 10.3407 10.7398 S.Huang M03 0.0130 -0.8121 incorrect 26/ 86 0.0000 1.0000 61.8709 10.3407 10.6779 S.Chang M01 0.0130 -0.8121 incorrect 29/ 86 0.0000 1.0000 61.8709 10.3407 10.6779 SWARMDOCK M09 0.0130 -0.8127 incorrect 21/ 86 0.0000 1.0000 54.5095 12.0598 12.6982 S.Seok M02 0.0130 -0.8128 incorrect 12/ 86 0.0000 1.0000 56.3450 11.5045 12.2281 LZERD M03 0.0130 -0.8130 incorrect 2/ 86 0.0000 1.0000 56.4653 11.4912 12.0405 Fernandez-Recio M09 0.0130 -0.8131 incorrect 0/ 86 0.0000 nan 49.8384 14.4873 15.2379 SWARMDOCK M04 0.0128 -0.8153 incorrect 24/ 86 0.0000 1.0000 54.7918 12.2331 12.8546 Wallner M09 0.0125 -0.8185 incorrect 0/ 86 0.0000 nan 52.1665 13.8375 14.5378 Gray M01 0.0122 -0.8222 incorrect 8/ 86 0.0000 1.0000 58.2471 11.8862 12.3798 Gray M07 0.0119 -0.8258 incorrect 2/ 86 0.0000 1.0000 58.9374 12.0574 12.5684 S.Kihara M04 0.0119 -0.8259 incorrect 11/ 86 0.0000 1.0000 58.9434 12.0648 12.6630 S.LZERD M06 0.0119 -0.8259 incorrect 12/ 86 0.0000 1.0000 58.9423 12.0686 12.6484 S.Kihara M10 0.0119 -0.8260 incorrect 10/ 86 0.0000 1.0000 58.9545 12.0718 12.6502 S.LZERD M07 0.0118 -0.8264 incorrect 11/ 86 0.0000 1.0000 59.0408 12.0982 12.6980 Gray M04 0.0118 -0.8266 incorrect 8/ 86 0.0000 1.0000 59.1770 12.0752 12.5751 Gray M03 0.0118 -0.8266 incorrect 3/ 86 0.0000 1.0000 59.1770 12.0752 12.5678 S.Zou M03 0.0117 -0.8273 incorrect 20/ 86 0.0000 1.0000 62.7956 11.3258 11.5619 Gray M02 0.0117 -0.8278 incorrect 3/ 86 0.0000 1.0000 59.3118 12.1707 12.6503 Fernandez-Recio M10 0.0108 -0.8387 incorrect 0/ 86 0.0000 nan 58.0405 14.0297 14.7313 Gray M05 0.0106 -0.8408 incorrect 2/ 86 0.0000 1.0000 63.0294 12.6460 13.1567 Huang M09 0.0105 -0.8412 incorrect 8/ 86 0.0000 1.0000 60.8971 13.3121 13.5372 S.LZERD M09 0.0105 -0.8417 incorrect 10/ 86 0.0000 1.0000 60.7682 13.4239 13.9714 Gray M06 0.0105 -0.8417 incorrect 9/ 86 0.0000 1.0000 60.7682 13.4266 13.8723 Wallner M04 0.0104 -0.8429 incorrect 0/ 86 0.0000 nan 66.2877 12.1411 12.5675 DelCarpio M08 0.0103 -0.8441 incorrect 5/ 86 0.0000 1.0000 54.6838 17.4974 18.4492 Venclovas M05 0.0100 -0.8481 low_id,clashes,incorrect 102/ 86 0.0000 1.0000 72.7872 11.6123 12.2151 DelCarpio M06 0.0099 -0.8482 incorrect 9/ 86 0.0000 1.0000 59.0959 15.2658 16.9688 S.Fernandez-Recio M03 0.0099 -0.8489 incorrect 2/ 86 0.0000 1.0000 67.6343 12.5343 13.0024 Huang M03 0.0097 -0.8516 incorrect 10/ 86 0.0000 1.0000 70.1683 12.3602 12.5164 S.Oliva M06 0.0096 -0.8518 low_id,incorrect 16/ 86 0.0000 1.0000 58.7917 16.2671 16.7955 Huang M01 0.0095 -0.8528 incorrect 15/ 86 0.0000 1.0000 70.5163 12.4422 12.5949 S.Weng M08 0.0094 -0.8547 incorrect 7/ 86 0.0000 1.0000 63.7657 14.4198 15.5720 S.Bonvin M03 0.0094 -0.8547 incorrect 9/ 86 0.0000 1.0000 63.7657 14.4198 15.5116 Kihara M08 0.0093 -0.8556 incorrect 0/ 86 0.0000 nan 58.7081 17.3702 18.1634 Fernandez-Recio M07 0.0090 -0.8588 incorrect 0/ 86 0.0000 nan 67.1797 13.9910 14.6746 Ritchie M05 0.0086 -0.8638 incorrect 16/ 86 0.0000 1.0000 70.6530 13.8761 14.4223 Ritchie M10 0.0084 -0.8665 incorrect 6/ 86 0.0000 1.0000 72.9822 13.7639 14.1881 Kihara M02 0.0083 -0.8675 incorrect 0/ 86 0.0000 nan 61.0736 19.5198 20.1463 Kihara M10 0.0083 -0.8677 incorrect 0/ 86 0.0000 nan 62.7857 18.0998 18.9116 Huang M08 0.0081 -0.8703 incorrect 0/ 86 0.0000 nan 69.7510 15.2982 15.7231 Huang M06 0.0079 -0.8716 incorrect 0/ 86 0.0000 nan 69.4792 15.6803 16.1068 Ritchie M06 0.0078 -0.8736 incorrect 0/ 86 0.0000 1.0000 76.5801 14.1307 14.3055 Grudinin M07 0.0077 -0.8748 incorrect 2/ 86 0.0000 1.0000 70.6838 15.9737 16.6815 Venclovas M03 0.0076 -0.8760 incorrect 63/ 86 0.0000 1.0000 74.0647 15.1669 15.3470 DelCarpio M09 0.0075 -0.8764 incorrect 41/ 86 0.0000 1.0000 65.3681 19.3562 20.2722 S.Vakser M10 0.0075 -0.8764 incorrect 8/ 86 0.0000 1.0000 66.6203 18.4478 19.2966 Wallner M08 0.0074 -0.8774 incorrect 6/ 86 0.0000 1.0000 74.7900 15.2611 15.4790 Venclovas M04 0.0073 -0.8791 incorrect 54/ 86 0.0000 1.0000 74.8689 15.5950 15.7503 Fernandez-Recio M02 0.0073 -0.8791 incorrect 0/ 86 0.0000 nan 76.2646 15.2268 15.8796 Fernandez-Recio M08 0.0071 -0.8810 incorrect 0/ 86 0.0000 nan 73.6415 16.4301 16.9849 Vakser M02 0.0071 -0.8813 incorrect 84/ 86 0.0000 1.0000 76.1477 15.7268 15.9757 Huang M05 0.0071 -0.8815 incorrect 33/ 86 0.0000 1.0000 81.7206 14.5149 14.5961 Huang M10 0.0071 -0.8815 incorrect 33/ 86 0.0000 1.0000 81.7207 14.5150 14.5961 Vakser M03 0.0070 -0.8831 incorrect 29/ 86 0.0000 1.0000 77.3398 15.8023 15.9858 LZERD M02 0.0068 -0.8844 incorrect 2/ 86 0.0000 1.0000 78.2397 15.8663 15.9708 S.SWARMDOCK M04 0.0067 -0.8860 incorrect 38/ 86 0.0000 1.0000 71.1922 19.2041 20.3322 DelCarpio M05 0.0067 -0.8860 incorrect 38/ 86 0.0000 1.0000 71.1922 19.2041 20.3322 S.Kihara M02 0.0065 -0.8887 incorrect 8/ 86 0.0000 1.0000 75.1548 18.1314 18.2480 Huang M04 0.0064 -0.8891 incorrect 0/ 86 0.0000 nan 90.0927 14.5691 14.7304 Kihara M06 0.0061 -0.8931 incorrect 0/ 86 0.0000 nan 73.2077 21.1721 21.7070 Kihara M09 0.0060 -0.8943 incorrect 0/ 86 0.0000 nan 79.8111 18.1842 18.5849 S.Chang M09 0.0057 -0.8980 incorrect 12/ 86 0.0000 1.0000 80.8812 19.1287 20.1422 LZERD M01 0.0057 -0.8980 incorrect 0/ 86 0.0000 nan 81.7834 18.7806 19.4563 LZERD M08 0.0056 -0.8990 incorrect 0/ 86 0.0000 nan 80.7961 19.6204 19.9818 Kihara M01 0.0056 -0.8992 incorrect 0/ 86 0.0000 nan 80.1321 19.9998 20.4807 LZERD M06 0.0053 -0.9029 incorrect 0/ 86 0.0000 nan 89.2588 18.1452 18.3310 S.SWARMDOCK M02 0.0052 -0.9032 incorrect 1/ 86 0.0000 1.0000 82.4061 20.8146 20.9730 GRAMM-X M09 0.0052 -0.9037 incorrect 35/ 86 0.0000 1.0000 90.6128 18.0722 18.3601 Grudinin M09 0.0050 -0.9058 incorrect 8/ 86 0.0000 1.0000 90.5052 18.8886 19.1515 Vakser M09 0.0050 -0.9060 incorrect 0/ 86 0.0000 nan 86.7344 20.2341 20.8728 LZERD M04 0.0048 -0.9078 incorrect 0/ 86 0.0000 nan 87.2295 20.9577 21.8933 DelCarpio M07 0.0047 -0.9090 incorrect 15/ 86 0.0000 1.0000 85.6537 22.4537 23.5567 S.Zou M06 0.0046 -0.9104 incorrect 17/ 86 0.0000 1.0000 87.5968 22.3259 22.9928 S.Weng M09 0.0046 -0.9104 incorrect 12/ 86 0.0000 1.0000 87.5968 22.3259 22.9634 S.Chang M02 0.0046 -0.9104 incorrect 17/ 86 0.0000 1.0000 87.5968 22.3259 22.9928 GRAMM-X M03 0.0045 -0.9114 incorrect 41/ 86 0.0000 1.0000 89.5714 21.9686 21.9036 S.Oliva M01 0.0044 -0.9131 low_id,incorrect 59/ 86 0.0000 1.0000 88.0378 23.9666 24.2845 Kihara M04 0.0044 -0.9131 incorrect 0/ 86 0.0000 nan 83.8525 27.5483 28.5597 S.Venclovas M10 0.0043 -0.9141 incorrect 14/ 86 0.0000 1.0000 90.0163 23.5394 24.1207 S.Chang M08 0.0043 -0.9141 incorrect 14/ 86 0.0000 1.0000 90.0163 23.5394 24.1207 Iwadate M02 0.0042 -0.9153 incorrect 0/ 86 0.0000 nan 96.1403 21.5508 22.1011 Iwadate M01 0.0040 -0.9173 incorrect 0/ 86 0.0000 nan 99.3485 21.6486 22.0350 GRAMM-X M01 0.0039 -0.9184 incorrect 75/ 86 0.0000 1.0000 96.1061 23.6123 24.0240 GRAMM-X M10 0.0038 -0.9204 incorrect 27/ 86 0.0000 1.0000 97.9516 24.3221 24.7594 GRAMM-X M07 0.0036 -0.9218 incorrect 15/ 86 0.0000 1.0000 99.2350 24.9431 25.0238 GRAMM-X M08 0.0035 -0.9239 incorrect 17/ 86 0.0000 1.0000 103.3320 24.8427 24.8086 LZERD M05 0.0034 -0.9245 incorrect 6/ 86 0.0000 1.0000 102.7874 25.6454 25.8596 Kihara M07 0.0034 -0.9245 incorrect 0/ 86 0.0000 nan 96.5155 29.9862 30.9210 Kihara M03 0.0030 -0.9290 incorrect 0/ 86 0.0000 nan 107.7744 27.9913 28.8786

Target: T117.4

Group Model DockQ Zscore Classification nclash fnat fnonnat lrmsd irmsdbb irmsdsc Eisenstein M07 0.0783 nan incorrect 67/ 88 0.2000 0.9567 59.5792 12.1657 13.5877 GRAMM-X M05 0.0636 nan incorrect 31/ 88 0.1373 0.9293 42.4663 12.2021 14.0773 S.Moal M01 0.0550 nan incorrect 6/ 88 0.0000 1.0000 21.0583 9.4050 11.2479 S.Weng M07 0.0525 nan incorrect 38/ 88 0.1026 0.9833 44.2119 10.7184 12.4522 S.Weng M02 0.0525 nan incorrect 36/ 88 0.1026 0.9833 44.2446 10.7087 12.5523 S.Weng M05 0.0525 nan incorrect 34/ 88 0.1026 0.9834 44.2144 10.7381 12.6158 Grudinin M10 0.0507 nan incorrect 7/ 88 0.0392 0.9737 27.0849 9.7398 12.3482 S.LZERD M08 0.0498 nan incorrect 11/ 88 0.0000 1.0000 21.6909 11.6828 13.3375 S.LZERD M03 0.0498 nan incorrect 11/ 88 0.0000 1.0000 21.6942 11.6803 13.3784 S.LZERD M05 0.0498 nan incorrect 5/ 88 0.0000 1.0000 21.6966 11.6778 13.3137 Gray M08 0.0489 nan incorrect 1/ 88 0.0000 1.0000 22.1196 11.1057 12.8415 S.Seok M03 0.0487 nan incorrect 19/ 88 0.0000 1.0000 22.0860 11.3657 13.3058 S.LZERD M04 0.0482 nan incorrect 9/ 88 0.0000 1.0000 22.2533 11.3575 13.1204 S.LZERD M10 0.0481 nan incorrect 10/ 88 0.0000 1.0000 22.2581 11.3575 13.0999 S.LZERD M02 0.0481 nan incorrect 13/ 88 0.0000 1.0000 22.2586 11.3571 13.1114 S.LZERD M01 0.0481 nan incorrect 12/ 88 0.0000 1.0000 22.2606 11.3583 13.0989 S.Seok M01 0.0479 nan incorrect 13/ 88 0.0000 1.0000 22.3920 11.1184 12.9402 S.SWARMDOCK M07 0.0472 nan incorrect 15/ 88 0.0000 1.0000 22.4963 11.5002 13.2098 Guerois M08 0.0459 nan incorrect 32/ 88 0.0588 0.9847 31.1589 15.0891 16.9563 Gray M10 0.0459 nan incorrect 6/ 88 0.0000 1.0000 22.7505 12.0785 13.6945 Gray M09 0.0450 nan incorrect 11/ 88 0.0000 1.0000 23.0316 12.1285 13.8021 Moal M09 0.0439 nan incorrect 79/ 88 0.0769 0.9885 44.2081 10.7051 12.1443 S.Vakser M01 0.0439 nan incorrect 79/ 88 0.0769 0.9885 44.2446 10.7087 12.1531 S.Huang M07 0.0439 nan incorrect 74/ 88 0.0769 0.9880 44.2446 10.7087 12.1531 S.Chang M03 0.0439 nan incorrect 79/ 88 0.0769 0.9885 44.2446 10.7087 12.1531 Moal M07 0.0439 nan incorrect 84/ 88 0.0769 0.9888 44.2538 10.7201 12.1575 S.Weng M10 0.0438 nan incorrect 38/ 88 0.0769 0.9885 44.2914 10.7548 12.4739 S.Huang M09 0.0411 nan incorrect 9/ 88 0.0000 1.0000 24.2429 12.6345 14.1542 Gray M01 0.0402 nan incorrect 8/ 88 0.0000 1.0000 24.4851 13.0141 14.5842 S.Seok M02 0.0402 nan incorrect 12/ 88 0.0000 1.0000 24.6022 12.6459 14.3562 Gray M07 0.0391 nan incorrect 2/ 88 0.0000 1.0000 24.8142 13.4208 14.9707 S.Kihara M04 0.0391 nan incorrect 11/ 88 0.0000 1.0000 24.8280 13.4245 15.0518 S.LZERD M06 0.0391 nan incorrect 8/ 88 0.0000 1.0000 24.8282 13.4289 14.9825 S.Kihara M10 0.0391 nan incorrect 10/ 88 0.0000 1.0000 24.8323 13.4336 14.9757 S.LZERD M07 0.0390 nan incorrect 11/ 88 0.0000 1.0000 24.8735 13.4384 14.9208 Gray M02 0.0386 nan incorrect 3/ 88 0.0000 1.0000 25.0404 13.4189 14.9318 HADDOCK M03 0.0385 nan incorrect 4/ 88 0.0392 0.8947 31.5411 16.1013 17.7015 Gray M04 0.0385 nan incorrect 8/ 88 0.0000 1.0000 25.0872 13.3649 14.9686 Gray M03 0.0385 nan incorrect 3/ 88 0.0000 1.0000 25.0872 13.3650 14.9352 Gray M06 0.0375 nan incorrect 9/ 88 0.0000 1.0000 25.4951 13.2975 14.7769 S.LZERD M09 0.0375 nan incorrect 10/ 88 0.0000 1.0000 25.5009 13.3054 14.7977 S.Fernandez-Recio M09 0.0363 nan incorrect 2/ 88 0.0000 1.0000 25.4462 16.1844 17.7211 Eisenstein M06 0.0361 nan incorrect 29/ 88 0.0200 0.9941 30.5885 11.5088 12.5781 SWARMDOCK M08 0.0360 nan incorrect 6/ 88 0.0200 0.9565 29.9784 12.7516 14.5208 Ritchie M01 0.0355 nan incorrect 32/ 88 0.0196 0.9936 31.3092 10.9671 13.3751 S.Vakser M08 0.0354 nan incorrect 82/ 88 0.0513 0.9924 44.2144 10.7381 12.1742 S.Huang M08 0.0354 nan incorrect 77/ 88 0.0513 0.9921 44.2144 10.7381 12.1742 Moal M03 0.0354 nan incorrect 82/ 88 0.0513 0.9924 44.2144 10.7381 12.1742 Moal M04 0.0354 nan incorrect 85/ 88 0.0513 0.9925 44.2508 10.7306 12.1639 Ritchie M08 0.0342 nan incorrect 40/ 88 0.0000 1.0000 27.3820 12.3396 14.1511 Vakser M10 0.0323 nan incorrect 52/ 88 0.0000 1.0000 28.8161 11.4497 12.9005 Eisenstein M05 0.0319 nan incorrect 33/ 88 0.0400 0.9891 45.6309 9.9485 11.1583 Eisenstein M04 0.0319 nan incorrect 32/ 88 0.0400 0.9894 45.6413 9.9475 11.1562 Eisenstein M01 0.0319 nan incorrect 31/ 88 0.0400 0.9892 45.6408 9.9501 11.1723 HADDOCK M04 0.0319 nan incorrect 0/ 88 0.0196 0.8889 31.8530 15.1831 16.8600 S.SWARMDOCK M06 0.0310 nan incorrect 21/ 88 0.0000 1.0000 28.1296 15.5393 17.1757 Vakser M01 0.0307 nan clashes,incorrect 108/ 88 0.0588 0.9910 59.2309 12.9875 14.2716 Vakser M02 0.0307 nan incorrect 84/ 88 0.0588 0.9855 59.2275 12.9907 14.2825 Gray M05 0.0298 nan incorrect 2/ 88 0.0000 1.0000 28.8305 15.4356 16.9389 Ritchie M03 0.0296 nan incorrect 19/ 88 0.0000 1.0000 31.1558 10.6596 13.1647 S.Huang M10 0.0294 nan incorrect 54/ 88 0.0000 1.0000 30.9496 11.0790 12.6232 Wallner M05 0.0291 nan incorrect 2/ 88 0.0000 1.0000 30.2615 12.5235 14.0799 Vajda,Kozakov M07 0.0280 nan incorrect 2/ 88 0.0000 1.0000 31.0499 12.4102 13.7473 CLUSPRO M07 0.0280 nan incorrect 2/ 88 0.0000 1.0000 31.0499 12.4102 13.7473 SWARMDOCK M01 0.0263 nan incorrect 11/ 88 0.0000 1.0000 31.5343 14.0908 15.8203 S.Chang M05 0.0254 nan incorrect 13/ 88 0.0000 1.0000 31.5435 16.1882 17.5900 DelCarpio M01 0.0254 nan incorrect 59/ 88 0.0000 1.0000 30.8635 19.8771 21.4415 Seok M04 0.0251 nan incorrect 23/ 88 0.0000 1.0000 31.8078 16.0559 17.4036 Seok M05 0.0251 nan incorrect 30/ 88 0.0000 1.0000 31.8974 15.7726 17.1866 Seok M08 0.0246 nan incorrect 35/ 88 0.0000 1.0000 32.1363 16.1471 17.5184 S.Gray M10 0.0242 nan incorrect 25/ 88 0.0000 1.0000 32.6287 15.7213 17.1406 S.Seok M07 0.0241 nan incorrect 19/ 88 0.0000 1.0000 32.4851 16.3362 17.7386 S.Seok M09 0.0241 nan incorrect 26/ 88 0.0000 1.0000 32.4536 16.4568 17.8309 S.SWARMDOCK M10 0.0241 nan incorrect 30/ 88 0.0000 1.0000 33.2797 14.1784 15.9613 S.SWARMDOCK M09 0.0241 nan incorrect 46/ 88 0.0000 1.0000 32.3448 17.0328 18.7057 Huang M07 0.0241 nan incorrect 46/ 88 0.0000 1.0000 32.3448 17.0328 18.7057 Huang M02 0.0241 nan incorrect 46/ 88 0.0000 1.0000 32.3448 17.0328 18.7057 Seok M07 0.0241 nan incorrect 29/ 88 0.0000 1.0000 32.5468 16.3019 17.7255 Seok M03 0.0241 nan incorrect 27/ 88 0.0000 1.0000 32.5848 16.2209 17.4816 HADDOCK M02 0.0239 nan incorrect 2/ 88 0.0000 1.0000 32.7446 16.1821 17.8608 Seok M01 0.0238 nan incorrect 30/ 88 0.0000 1.0000 32.7395 16.4046 17.8817 S.Kihara M07 0.0234 nan incorrect 29/ 88 0.0000 1.0000 33.0596 16.4129 17.8164 S.Venclovas M04 0.0234 nan incorrect 57/ 88 0.0000 1.0000 33.0680 16.4040 17.7356 S.Venclovas M01 0.0234 nan incorrect 57/ 88 0.0000 1.0000 33.0730 16.4041 17.7353 Seok M09 0.0233 nan incorrect 33/ 88 0.0000 1.0000 33.1701 16.4490 17.7680 Wallner M02 0.0232 nan incorrect 5/ 88 0.0000 1.0000 34.3224 13.7430 15.3768 Seok M06 0.0232 nan incorrect 27/ 88 0.0000 1.0000 33.2810 16.4793 17.8373 Seok M02 0.0230 nan incorrect 23/ 88 0.0000 1.0000 33.3126 16.7732 18.1984 S.Seok M10 0.0230 nan incorrect 24/ 88 0.0000 1.0000 33.2887 16.9406 18.1039 S.Gray M09 0.0224 nan incorrect 26/ 88 0.0000 1.0000 33.9578 16.4422 17.8670 S.SWARMDOCK M03 0.0220 nan incorrect 15/ 88 0.0000 1.0000 34.3786 16.1869 17.8050 Eisenstein M02 0.0218 nan incorrect 38/ 88 0.0200 0.9949 46.5275 12.9865 14.0314 S.Gray M04 0.0210 nan incorrect 29/ 88 0.0000 1.0000 35.1532 16.8360 18.6154 S.Gray M06 0.0210 nan incorrect 31/ 88 0.0000 1.0000 35.6615 15.4507 17.2263 Huang M09 0.0208 nan incorrect 8/ 88 0.0000 1.0000 36.1840 14.9071 16.3782 HADDOCK M01 0.0207 nan incorrect 0/ 88 0.0000 1.0000 36.0447 15.3056 17.1147 Chang M10 0.0207 nan incorrect 6/ 88 0.0000 1.0000 37.4938 12.9665 15.0401 S.Bonvin M06 0.0204 nan incorrect 2/ 88 0.0000 1.0000 35.9027 16.5794 18.0464 S.Gray M02 0.0203 nan incorrect 26/ 88 0.0000 1.0000 36.2570 15.9594 17.5857 S.Seok M08 0.0201 nan incorrect 32/ 88 0.0000 1.0000 36.9341 14.8873 16.2966 S.Gray M08 0.0200 nan incorrect 25/ 88 0.0000 1.0000 36.7245 15.6401 17.5481 S.Gray M05 0.0199 nan incorrect 23/ 88 0.0000 1.0000 36.6597 15.9817 17.5750 S.Gray M01 0.0199 nan incorrect 29/ 88 0.0000 1.0000 36.5973 16.1714 17.8151 Chang M09 0.0198 nan incorrect 0/ 88 0.0000 1.0000 37.1248 15.2433 17.2536 S.Gray M07 0.0198 nan incorrect 30/ 88 0.0000 1.0000 36.9911 15.5765 17.2009 S.Seok M05 0.0197 nan incorrect 30/ 88 0.0000 1.0000 37.2991 15.0498 16.4636 Weng M02 0.0197 nan incorrect 0/ 88 0.0000 nan 36.3739 17.3656 18.7041 S.Seok M06 0.0196 nan incorrect 31/ 88 0.0000 1.0000 37.2235 15.4162 16.9528 Eisenstein M08 0.0193 nan incorrect 30/ 88 0.0000 1.0000 43.0307 10.4446 12.6462 S.Seok M04 0.0192 nan incorrect 32/ 88 0.0000 1.0000 37.7458 15.3678 16.9791 S.Gray M03 0.0191 nan incorrect 28/ 88 0.0000 1.0000 37.7286 15.6316 17.1778 S.Venclovas M03 0.0190 nan incorrect 81/ 88 0.0000 1.0000 38.3179 14.9412 16.5679 S.Venclovas M09 0.0190 nan incorrect 81/ 88 0.0000 1.0000 38.3213 14.9390 16.5659 S.Venclovas M08 0.0190 nan incorrect 81/ 88 0.0000 1.0000 38.3213 14.9390 16.5659 S.Venclovas M07 0.0190 nan incorrect 81/ 88 0.0000 1.0000 38.3213 14.9390 16.5659 S.Venclovas M06 0.0190 nan incorrect 81/ 88 0.0000 1.0000 38.3213 14.9390 16.5659 S.Venclovas M05 0.0190 nan incorrect 81/ 88 0.0000 1.0000 38.3213 14.9390 16.5659 S.Venclovas M02 0.0190 nan incorrect 81/ 88 0.0000 1.0000 38.3213 14.9390 16.5659 Weng M05 0.0188 nan incorrect 0/ 88 0.0000 1.0000 37.1057 18.5997 20.2265 Eisenstein M03 0.0184 nan incorrect 36/ 88 0.0000 1.0000 44.3240 10.5706 12.9766 S.Bonvin M08 0.0184 nan incorrect 1/ 88 0.0000 1.0000 39.7417 13.9933 15.8460 GRAMM-X M02 0.0181 nan incorrect 35/ 88 0.0000 1.0000 38.8941 16.0184 17.7736 Grudinin M08 0.0181 nan incorrect 5/ 88 0.0196 0.9859 50.1565 18.2452 19.9482 DelCarpio M06 0.0179 nan incorrect 9/ 88 0.0000 1.0000 36.9470 26.0437 28.1177 GRAMM-X M04 0.0178 nan incorrect 17/ 88 0.0000 1.0000 38.9830 16.6786 18.3658 Grudinin M05 0.0176 nan incorrect 12/ 88 0.0000 1.0000 41.5204 13.3145 15.6331 SWARMDOCK M10 0.0175 nan incorrect 16/ 88 0.0000 1.0000 39.1546 17.2924 18.9486 SWARMDOCK M06 0.0175 nan incorrect 16/ 88 0.0000 1.0000 39.1546 17.2924 18.9486 LZERD M03 0.0173 nan incorrect 2/ 88 0.0000 1.0000 39.2392 17.6469 19.1117 HADDOCK M05 0.0172 nan incorrect 1/ 88 0.0000 1.0000 42.3949 13.1527 14.9343 S.Bonvin M10 0.0172 nan incorrect 1/ 88 0.0000 1.0000 42.3945 13.1551 14.9366 S.SWARMDOCK M04 0.0171 nan incorrect 38/ 88 0.0000 1.0000 39.8218 16.9883 19.2350 DelCarpio M05 0.0171 nan incorrect 38/ 88 0.0000 1.0000 39.8218 16.9883 19.2350 Guerois M07 0.0170 nan incorrect 27/ 88 0.0000 1.0000 39.6766 17.5866 19.0447 DelCarpio M09 0.0169 nan incorrect 41/ 88 0.0000 1.0000 38.9226 20.9080 22.5990 Vakser M08 0.0168 nan incorrect 79/ 88 0.0000 1.0000 42.0838 14.1496 15.5533 Vakser M07 0.0160 nan incorrect 56/ 88 0.0000 1.0000 42.0009 15.9847 17.3692 S.Kihara M06 0.0160 nan incorrect 46/ 88 0.0000 1.0000 44.7795 12.9470 14.3479 S.Bonvin M01 0.0159 nan incorrect 77/ 88 0.0000 1.0000 44.8501 12.9823 14.2662 S.Kihara M01 0.0159 nan incorrect 5/ 88 0.0000 1.0000 40.9351 18.5437 19.9651 Vakser M04 0.0159 nan incorrect 53/ 88 0.0196 0.9962 60.9928 15.6289 17.0979 Vakser M03 0.0159 nan incorrect 29/ 88 0.0196 0.9926 61.0261 15.6355 17.1031 Zacharias M07 0.0159 nan incorrect 4/ 88 0.0000 1.0000 40.6877 19.4316 20.9786 Guerois M10 0.0157 nan incorrect 21/ 88 0.0000 1.0000 41.3794 18.3166 19.5750 Vakser M06 0.0155 nan incorrect 47/ 88 0.0000 1.0000 42.4368 16.6642 17.8167 Vakser M05 0.0155 nan incorrect 72/ 88 0.0000 1.0000 42.4409 16.6959 17.8416 Ritchie M09 0.0154 nan incorrect 28/ 88 0.0000 1.0000 44.7665 13.9324 15.9225 Guerois M06 0.0152 nan incorrect 35/ 88 0.0000 1.0000 40.6423 24.4666 25.3021 Ritchie M04 0.0152 nan incorrect 21/ 88 0.0000 1.0000 44.1900 14.9798 16.6597 Ritchie M02 0.0151 nan incorrect 31/ 88 0.0000 1.0000 41.3948 21.3392 22.5360 Chang M08 0.0150 nan incorrect 4/ 88 0.0000 1.0000 41.9242 20.0671 21.4145 HADDOCK M06 0.0149 nan incorrect 1/ 88 0.0000 1.0000 45.6609 14.0929 15.9306 Wallner M03 0.0148 nan incorrect 4/ 88 0.0000 1.0000 41.9968 21.1474 22.5541 Chang M03 0.0147 nan incorrect 28/ 88 0.0000 1.0000 42.2089 20.8490 22.2773 Chang M04 0.0147 nan incorrect 34/ 88 0.0000 1.0000 42.2458 20.8225 22.2455 Vajda,Kozakov M10 0.0146 nan clashes,incorrect 95/ 88 0.0000 1.0000 42.1931 21.5228 23.1394 Vajda,Kozakov M09 0.0146 nan clashes,incorrect 94/ 88 0.0000 1.0000 42.1931 21.5228 23.1427 Vajda,Kozakov M08 0.0146 nan clashes,incorrect 95/ 88 0.0000 1.0000 42.1931 21.5228 23.1301 Vajda,Kozakov M06 0.0146 nan clashes,incorrect 93/ 88 0.0000 1.0000 42.1931 21.5228 23.1209 Vajda,Kozakov M05 0.0146 nan clashes,incorrect 92/ 88 0.0000 1.0000 42.1931 21.5228 23.1332 Vajda,Kozakov M04 0.0146 nan clashes,incorrect 94/ 88 0.0000 1.0000 42.1931 21.5228 23.1324 Vajda,Kozakov M03 0.0146 nan clashes,incorrect 92/ 88 0.0000 1.0000 42.1931 21.5228 23.1236 Vajda,Kozakov M02 0.0146 nan clashes,incorrect 93/ 88 0.0000 1.0000 42.1931 21.5228 23.1221 Vajda,Kozakov M01 0.0146 nan clashes,incorrect 96/ 88 0.0000 1.0000 42.1931 21.5228 23.1245 CLUSPRO M10 0.0146 nan clashes,incorrect 95/ 88 0.0000 1.0000 42.1931 21.5228 23.1394 CLUSPRO M09 0.0146 nan clashes,incorrect 94/ 88 0.0000 1.0000 42.1931 21.5228 23.1427 CLUSPRO M08 0.0146 nan clashes,incorrect 95/ 88 0.0000 1.0000 42.1931 21.5228 23.1301 CLUSPRO M06 0.0146 nan clashes,incorrect 93/ 88 0.0000 1.0000 42.1931 21.5228 23.1209 CLUSPRO M05 0.0146 nan clashes,incorrect 92/ 88 0.0000 1.0000 42.1931 21.5228 23.1332 CLUSPRO M04 0.0146 nan clashes,incorrect 94/ 88 0.0000 1.0000 42.1931 21.5228 23.1324 CLUSPRO M03 0.0146 nan clashes,incorrect 92/ 88 0.0000 1.0000 42.1931 21.5228 23.1235 CLUSPRO M02 0.0146 nan clashes,incorrect 93/ 88 0.0000 1.0000 42.1931 21.5228 23.1221 CLUSPRO M01 0.0146 nan clashes,incorrect 96/ 88 0.0000 1.0000 42.1931 21.5228 23.1244 S.Zou M10 0.0145 nan incorrect 31/ 88 0.0000 1.0000 45.6121 15.0577 16.7001 S.Grudinin M04 0.0143 nan incorrect 4/ 88 0.0000 1.0000 41.7563 26.4323 27.7148 HADDOCK M09 0.0143 nan incorrect 1/ 88 0.0000 1.0000 43.1273 20.2078 21.5694 Zou M07 0.0142 nan incorrect 6/ 88 0.0000 1.0000 41.9435 26.4940 27.7698 S.Zou M07 0.0142 nan incorrect 6/ 88 0.0000 1.0000 41.9435 26.4940 27.7698 SWARMDOCK M07 0.0139 nan incorrect 28/ 88 0.0000 1.0000 47.6555 14.2566 16.2401 S.SWARMDOCK M05 0.0139 nan incorrect 28/ 88 0.0000 1.0000 47.6555 14.2566 16.2401 Shen M04 0.0137 nan incorrect 24/ 88 0.0000 1.0000 45.9686 16.5517 18.2472 Shen M09 0.0137 nan incorrect 26/ 88 0.0000 1.0000 46.0152 16.5700 18.2713 Shen M05 0.0137 nan incorrect 23/ 88 0.0000 1.0000 46.0244 16.5953 18.3103 Shen M06 0.0137 nan incorrect 25/ 88 0.0000 1.0000 46.0314 16.5992 18.3063 Shen M03 0.0137 nan incorrect 25/ 88 0.0000 1.0000 46.0577 16.5667 18.2737 Shen M01 0.0137 nan incorrect 19/ 88 0.0000 1.0000 45.9621 16.7185 18.4035 Shen M10 0.0137 nan incorrect 26/ 88 0.0000 1.0000 46.1003 16.5702 18.2868 Shen M08 0.0137 nan incorrect 24/ 88 0.0000 1.0000 46.0911 16.5901 18.2883 Shen M02 0.0135 nan incorrect 19/ 88 0.0000 1.0000 46.3526 16.6923 18.3972 Zacharias M05 0.0134 nan incorrect 6/ 88 0.0000 1.0000 44.3876 21.2587 22.5676 S.Zou M03 0.0134 nan incorrect 40/ 88 0.0000 1.0000 50.7258 13.0727 14.5490 S.Huang M02 0.0133 nan incorrect 6/ 88 0.0000 1.0000 45.0815 20.1457 21.7730 S.Zou M08 0.0130 nan incorrect 12/ 88 0.0000 1.0000 45.2328 21.4500 22.8370 Shen M07 0.0130 nan incorrect 0/ 88 0.0000 nan 46.3215 18.8676 19.8504 Chang M07 0.0129 nan incorrect 6/ 88 0.0000 1.0000 47.3724 17.1132 18.1076 Wallner M07 0.0129 nan incorrect 3/ 88 0.0000 1.0000 44.6714 24.3563 25.5145 SWARMDOCK M09 0.0129 nan incorrect 21/ 88 0.0000 1.0000 49.8458 14.7062 16.5979 S.Fernandez-Recio M01 0.0128 nan incorrect 39/ 88 0.0227 0.9960 77.8790 23.8037 25.1815 GRAMM-X M06 0.0128 nan incorrect 41/ 88 0.0000 1.0000 49.2877 15.3498 16.6793 Wallner M06 0.0126 nan incorrect 2/ 88 0.0000 1.0000 48.4343 16.8316 18.0025 SWARMDOCK M04 0.0125 nan incorrect 24/ 88 0.0000 1.0000 50.4836 14.9043 16.7503 SWARMDOCK M02 0.0124 nan incorrect 5/ 88 0.0000 1.0000 52.1694 14.0637 15.7911 S.Vakser M05 0.0123 nan incorrect 20/ 88 0.0000 1.0000 50.2246 15.5943 17.1748 Weng M09 0.0123 nan incorrect 0/ 88 0.0000 nan 46.4884 22.3411 23.5235 Takeda-Shitaka M04 0.0122 nan incorrect 45/ 88 0.0200 0.9925 72.0987 27.1627 27.8995 Huang M08 0.0122 nan incorrect 22/ 88 0.0000 1.0000 47.0682 20.9937 21.8819 Huang M06 0.0122 nan incorrect 22/ 88 0.0000 1.0000 47.0682 20.9937 21.8819 Kihara M10 0.0120 nan incorrect 4/ 88 0.0000 1.0000 47.4684 21.4673 23.3222 Kihara M08 0.0120 nan incorrect 5/ 88 0.0000 1.0000 47.4704 21.4675 23.3295 Takeda-Shitaka M09 0.0119 nan incorrect 37/ 88 0.0196 0.9932 73.4366 27.4685 28.4791 Chang M06 0.0118 nan incorrect 21/ 88 0.0000 1.0000 47.8631 21.8761 23.1691 Chang M01 0.0117 nan incorrect 22/ 88 0.0000 1.0000 47.8733 21.8841 23.1688 Chang M02 0.0117 nan incorrect 21/ 88 0.0000 1.0000 47.8748 21.8857 23.1708 S.Zou M04 0.0117 nan incorrect 29/ 88 0.0000 1.0000 46.9508 25.7664 26.8131 Chang M05 0.0115 nan incorrect 5/ 88 0.0000 1.0000 49.0032 20.4250 22.1042 Fernandez-Recio M04 0.0115 nan incorrect 1/ 88 0.0000 1.0000 48.0809 22.9517 24.5069 Zacharias M09 0.0115 nan incorrect 2/ 88 0.0000 1.0000 48.5407 21.7586 22.7556 S.Vakser M03 0.0113 nan incorrect 2/ 88 0.0000 1.0000 50.0972 19.4300 21.1014 Ritchie M07 0.0113 nan incorrect 0/ 88 0.0000 1.0000 49.1895 21.6193 23.5791 Zacharias M10 0.0112 nan incorrect 0/ 88 0.0000 1.0000 48.3219 24.6599 25.6447 Grudinin M03 0.0111 nan incorrect 18/ 88 0.0000 1.0000 49.2685 22.2728 23.4750 LZERD M07 0.0110 nan incorrect 0/ 88 0.0000 1.0000 48.3715 26.6250 28.2429 S.Grudinin M02 0.0110 nan incorrect 9/ 88 0.0000 1.0000 48.4137 27.0447 28.1646 Eisenstein M09 0.0110 nan incorrect 28/ 88 0.0000 1.0000 59.6303 13.0509 15.2289 Zou M01 0.0110 nan incorrect 15/ 88 0.0000 1.0000 48.4167 27.1639 28.4907 Zou M04 0.0110 nan incorrect 9/ 88 0.0000 1.0000 48.7410 25.8694 27.3390 S.Grudinin M07 0.0108 nan incorrect 5/ 88 0.0000 1.0000 48.9799 26.1012 27.5806 S.Kihara M02 0.0107 nan incorrect 8/ 88 0.0000 1.0000 53.6421 17.1715 18.5394 HADDOCK M07 0.0106 nan incorrect 0/ 88 0.0000 nan 50.7183 22.2758 23.5724 Fernandez-Recio M05 0.0106 nan incorrect 2/ 88 0.0000 1.0000 49.8857 25.1507 26.5783 S.Grudinin M10 0.0106 nan incorrect 4/ 88 0.0000 1.0000 49.9995 24.8509 26.3296 SWARMDOCK M03 0.0105 nan incorrect 4/ 88 0.0000 1.0000 50.1530 25.0193 26.3778 DelCarpio M10 0.0104 nan incorrect 0/ 88 0.0000 nan 49.4331 29.5992 30.5966 S.Bonvin M09 0.0104 nan incorrect 5/ 88 0.0000 1.0000 50.8110 23.5986 24.7747 HADDOCK M08 0.0104 nan incorrect 6/ 88 0.0000 1.0000 50.9873 23.1852 24.4299 S.Kihara M05 0.0104 nan incorrect 12/ 88 0.0000 1.0000 50.9987 23.1946 24.3593 Fernandez-Recio M01 0.0104 nan incorrect 3/ 88 0.0000 1.0000 50.7638 24.3346 25.3523 HADDOCK M10 0.0104 nan incorrect 2/ 88 0.0000 1.0000 51.6944 21.7563 22.6455 S.Zou M09 0.0103 nan incorrect 9/ 88 0.0000 1.0000 50.7450 24.6821 25.7213 Moal M06 0.0103 nan incorrect 9/ 88 0.0000 1.0000 50.7450 24.6821 25.7213 Seok M10 0.0101 nan incorrect 34/ 88 0.0000 1.0000 51.8634 23.5702 24.2089 Weng M10 0.0100 nan incorrect 0/ 88 0.0000 nan 51.4874 24.9896 26.1700 Kihara M05 0.0100 nan incorrect 2/ 88 0.0000 1.0000 56.2204 16.9871 17.7570 Zacharias M06 0.0100 nan incorrect 0/ 88 0.0000 nan 54.8093 18.4053 20.0123 S.Fernandez-Recio M07 0.0100 nan incorrect 3/ 88 0.0000 1.0000 51.3719 25.5987 26.7359 Wallner M04 0.0098 nan incorrect 0/ 88 0.0000 nan 55.5202 18.6890 20.1560 S.Moal M03 0.0097 nan incorrect 80/ 88 0.0000 1.0000 61.5733 14.5443 15.5403 S.Vakser M07 0.0097 nan incorrect 76/ 88 0.0000 1.0000 61.6545 14.5769 15.5641 S.SWARMDOCK M08 0.0097 nan incorrect 6/ 88 0.0000 1.0000 57.4435 17.0273 18.6967 S.Vakser M09 0.0097 nan incorrect 76/ 88 0.0000 1.0000 61.6822 14.5885 15.5640 Moal M08 0.0097 nan incorrect 76/ 88 0.0000 1.0000 61.6823 14.5885 15.5640 S.Vakser M02 0.0097 nan incorrect 74/ 88 0.0000 1.0000 61.7273 14.6017 15.5303 Moal M05 0.0097 nan incorrect 74/ 88 0.0000 1.0000 61.7273 14.6017 15.5303 S.Huang M03 0.0097 nan incorrect 75/ 88 0.0000 1.0000 61.7290 14.6014 15.5396 S.Weng M04 0.0097 nan incorrect 37/ 88 0.0000 1.0000 61.7290 14.6015 15.5308 S.Chang M01 0.0097 nan incorrect 78/ 88 0.0000 1.0000 61.7290 14.6015 15.5396 Zou M02 0.0096 nan incorrect 13/ 88 0.0000 1.0000 53.9209 22.0333 23.2550 S.Zou M02 0.0096 nan incorrect 13/ 88 0.0000 1.0000 53.9209 22.0333 23.2550 S.Weng M03 0.0096 nan incorrect 5/ 88 0.0000 1.0000 53.9209 22.0333 23.0439 S.Grudinin M01 0.0096 nan incorrect 7/ 88 0.0000 1.0000 54.0391 22.0321 23.2592 S.Fernandez-Recio M03 0.0095 nan incorrect 2/ 88 0.0000 1.0000 53.6712 23.1561 24.6075 Weng M01 0.0095 nan incorrect 0/ 88 0.0000 1.0000 52.9898 25.5250 26.5532 S.Huang M06 0.0095 nan incorrect 4/ 88 0.0000 1.0000 53.9665 23.0042 24.4661 S.Chang M06 0.0095 nan incorrect 4/ 88 0.0000 1.0000 53.9665 23.0042 24.4661 Weng M08 0.0094 nan clashes,incorrect 89/ 88 0.0000 1.0000 54.2801 23.2210 24.1462 Weng M07 0.0094 nan clashes,incorrect 93/ 88 0.0000 1.0000 54.2801 23.2210 24.2010 Weng M06 0.0094 nan clashes,incorrect 90/ 88 0.0000 1.0000 54.2801 23.2210 24.1944 Weng M04 0.0094 nan clashes,incorrect 93/ 88 0.0000 1.0000 54.2801 23.2210 24.1105 Weng M03 0.0094 nan clashes,incorrect 95/ 88 0.0000 1.0000 54.2801 23.2210 24.1829 Grudinin M02 0.0093 nan incorrect 24/ 88 0.0000 1.0000 54.4815 22.9166 23.6776 S.Grudinin M06 0.0093 nan incorrect 23/ 88 0.0000 1.0000 52.6073 29.7710 30.5613 Zou M10 0.0093 nan incorrect 19/ 88 0.0000 1.0000 52.6667 29.8239 30.6140 S.Oliva M07 0.0093 nan incorrect 19/ 88 0.0000 1.0000 52.6667 29.8239 30.6140 S.Moal M04 0.0093 nan incorrect 3/ 88 0.0000 1.0000 54.3503 23.9958 25.1389 Ritchie M06 0.0092 nan incorrect 0/ 88 0.0000 1.0000 55.6735 21.2593 22.5257 Wallner M08 0.0092 nan incorrect 6/ 88 0.0000 1.0000 57.7682 18.7681 20.4404 S.Vakser M10 0.0091 nan incorrect 8/ 88 0.0000 1.0000 54.7312 24.4769 25.8256 Huang M03 0.0091 nan incorrect 10/ 88 0.0000 1.0000 54.9154 24.3604 26.2001 Huang M01 0.0090 nan incorrect 15/ 88 0.0000 1.0000 55.0896 24.3607 26.1976 Zacharias M03 0.0089 nan incorrect 2/ 88 0.0000 1.0000 55.3259 25.1858 26.2461 S.Bonvin M07 0.0087 nan incorrect 5/ 88 0.0000 1.0000 56.3603 23.6862 24.7738 LZERD M10 0.0087 nan incorrect 0/ 88 0.0000 nan 54.8014 29.3161 30.3154 S.Chang M04 0.0087 nan incorrect 10/ 88 0.0000 1.0000 56.5671 23.6044 25.1188 DelCarpio M02 0.0087 nan incorrect 25/ 88 0.0000 1.0000 55.6365 26.4449 27.7747 Wallner M09 0.0086 nan incorrect 5/ 88 0.0000 1.0000 59.8211 19.4053 20.9662 Fernandez-Recio M03 0.0085 nan incorrect 9/ 88 0.0000 1.0000 56.0618 27.1087 27.9219 DelCarpio M07 0.0085 nan incorrect 15/ 88 0.0000 1.0000 59.3811 20.5676 22.3130 DelCarpio M08 0.0083 nan incorrect 72/ 88 0.0000 1.0000 61.5153 19.0315 19.9370 Ritchie M10 0.0082 nan incorrect 6/ 88 0.0000 1.0000 57.1801 26.9773 28.6242 Zacharias M08 0.0082 nan incorrect 0/ 88 0.0000 1.0000 56.8974 27.9891 29.5495 Zou M05 0.0082 nan incorrect 38/ 88 0.0000 1.0000 55.7024 34.4673 34.6255 S.Zou M01 0.0082 nan incorrect 38/ 88 0.0000 1.0000 55.7024 34.4673 34.6255 S.Weng M01 0.0082 nan incorrect 19/ 88 0.0000 1.0000 55.7024 34.4673 34.5394 S.Huang M01 0.0082 nan incorrect 38/ 88 0.0000 1.0000 55.7024 34.4673 34.6255 S.Grudinin M03 0.0082 nan incorrect 18/ 88 0.0000 1.0000 55.7583 34.3048 34.5029 Grudinin M01 0.0082 nan incorrect 11/ 88 0.0000 1.0000 58.7913 23.2942 23.8058 LZERD M09 0.0082 nan incorrect 2/ 88 0.0000 1.0000 56.8379 28.9898 30.3575 Zou M06 0.0082 nan incorrect 30/ 88 0.0000 1.0000 60.9921 20.2406 20.9213 DelCarpio M04 0.0081 nan incorrect 42/ 88 0.0000 1.0000 58.9226 23.6765 24.6377 DelCarpio M03 0.0081 nan incorrect 40/ 88 0.0000 1.0000 58.9359 23.6860 24.6508 S.SWARMDOCK M01 0.0081 nan incorrect 13/ 88 0.0000 1.0000 59.6376 22.5089 23.8821 S.Zou M05 0.0080 nan incorrect 32/ 88 0.0000 1.0000 58.2938 26.3439 27.3480 Fernandez-Recio M08 0.0078 nan incorrect 0/ 88 0.0000 nan 58.7427 27.1567 28.6859 Zacharias M04 0.0078 nan incorrect 5/ 88 0.0000 1.0000 59.8982 24.3594 25.3953 SWARMDOCK M05 0.0077 nan incorrect 2/ 88 0.0000 1.0000 60.4705 24.5190 25.3184 S.SWARMDOCK M02 0.0076 nan incorrect 1/ 88 0.0000 1.0000 63.9821 20.3047 21.2179 S.Weng M06 0.0076 nan incorrect 26/ 88 0.0000 1.0000 65.5101 19.1281 20.3431 Moal M01 0.0076 nan incorrect 74/ 88 0.0000 1.0000 65.5101 19.1281 20.1431 Grudinin M04 0.0075 nan incorrect 3/ 88 0.0000 1.0000 60.2905 27.0170 27.8357 Fernandez-Recio M10 0.0075 nan incorrect 0/ 88 0.0000 nan 59.1571 31.0900 32.6719 Guerois M01 0.0075 nan incorrect 29/ 88 0.0000 1.0000 58.6833 34.3042 35.5127 Guerois M03 0.0074 nan incorrect 30/ 88 0.0000 1.0000 59.0817 33.6028 35.0150 Takeda-Shitaka M02 0.0074 nan incorrect 0/ 88 0.0000 1.0000 62.1628 24.0542 25.5613 Guerois M05 0.0074 nan incorrect 25/ 88 0.0000 1.0000 59.1321 34.2089 35.6738 Grudinin M07 0.0073 nan incorrect 2/ 88 0.0000 1.0000 63.3625 22.7863 23.5893 Grudinin M09 0.0073 nan incorrect 8/ 88 0.0000 1.0000 70.8329 16.9757 17.9096 LZERD M02 0.0073 nan incorrect 2/ 88 0.0000 1.0000 60.8957 28.5693 30.5784 S.Grudinin M05 0.0073 nan incorrect 22/ 88 0.0000 1.0000 60.7307 29.2375 29.8062 Takeda-Shitaka M07 0.0073 nan incorrect 1/ 88 0.0000 1.0000 62.6758 24.3686 25.9537 Zacharias M01 0.0073 nan incorrect 7/ 88 0.0000 1.0000 62.6048 24.5408 25.2536 Zou M08 0.0073 nan incorrect 36/ 88 0.0000 1.0000 60.7452 29.5792 29.9540 S.Chang M10 0.0073 nan incorrect 36/ 88 0.0000 1.0000 60.7452 29.5792 29.9540 GRAMM-X M09 0.0072 nan incorrect 35/ 88 0.0000 1.0000 69.4546 17.9635 19.2031 S.Moal M06 0.0072 nan incorrect 62/ 88 0.0000 1.0000 65.8087 20.7196 22.3228 S.Moal M05 0.0072 nan incorrect 66/ 88 0.0000 1.0000 65.8372 20.6966 22.3231 S.Moal M02 0.0072 nan incorrect 66/ 88 0.0000 1.0000 65.9275 20.6554 22.3080 S.Bonvin M03 0.0070 nan incorrect 10/ 88 0.0000 1.0000 63.1516 26.1005 26.7680 S.Weng M08 0.0070 nan incorrect 7/ 88 0.0000 1.0000 63.1517 26.1005 26.9345 Moal M02 0.0070 nan incorrect 4/ 88 0.0000 1.0000 62.4704 28.8080 29.6286 S.Chang M07 0.0070 nan incorrect 4/ 88 0.0000 1.0000 62.4704 28.8081 29.6286 S.Moal M09 0.0070 nan incorrect 4/ 88 0.0000 1.0000 62.5068 28.8063 29.5769 S.Huang M05 0.0069 nan incorrect 8/ 88 0.0000 1.0000 65.8454 22.5186 23.7289 Fernandez-Recio M09 0.0069 nan incorrect 0/ 88 0.0000 nan 61.4389 33.6309 35.0552 Fernandez-Recio M07 0.0069 nan incorrect 0/ 88 0.0000 nan 62.5310 30.4762 32.1397 S.Fernandez-Recio M04 0.0068 nan incorrect 31/ 88 0.0000 1.0000 67.5998 21.2578 22.9759 Fernandez-Recio M02 0.0068 nan incorrect 0/ 88 0.0000 nan 63.3469 28.4373 30.1037 Grudinin M06 0.0068 nan incorrect 1/ 88 0.0000 1.0000 65.4917 24.3973 24.7053 S.Fernandez-Recio M05 0.0068 nan incorrect 10/ 88 0.0000 1.0000 66.5609 22.8797 24.0849 Zacharias M02 0.0067 nan incorrect 9/ 88 0.0000 1.0000 68.3465 21.3051 22.0916 Eisenstein M10 0.0067 nan incorrect 24/ 88 0.0000 1.0000 68.5902 21.3214 22.4215 GRAMM-X M03 0.0066 nan incorrect 41/ 88 0.0000 1.0000 69.5543 20.8580 21.9627 Guerois M04 0.0066 nan incorrect 30/ 88 0.0000 1.0000 63.6143 31.7477 33.1802 S.Fernandez-Recio M02 0.0065 nan incorrect 4/ 88 0.0000 1.0000 64.5068 29.5243 30.2043 Venclovas M05 0.0065 nan low_id,clashes,incorrect 102/ 88 0.0000 1.0000 67.4500 23.6624 24.8304 Venclovas M03 0.0065 nan incorrect 63/ 88 0.0000 1.0000 68.3255 23.1417 24.2659 S.Bonvin M05 0.0064 nan incorrect 0/ 88 0.0000 1.0000 64.9221 30.4828 31.7683 Guerois M02 0.0064 nan incorrect 26/ 88 0.0000 1.0000 64.4137 32.3171 33.2263 Vakser M09 0.0064 nan incorrect 52/ 88 0.0000 1.0000 67.1164 25.6137 26.5857 GRAMM-X M01 0.0064 nan incorrect 75/ 88 0.0000 1.0000 66.0569 27.9315 28.8098 Takeda-Shitaka M03 0.0063 nan incorrect 68/ 88 0.0000 1.0000 68.2771 24.4077 25.4734 Huang M05 0.0063 nan incorrect 33/ 88 0.0000 1.0000 71.5746 20.9582 22.0320 S.Huang M04 0.0063 nan incorrect 18/ 88 0.0000 1.0000 67.7361 25.4374 26.3624 Moal M10 0.0063 nan incorrect 18/ 88 0.0000 1.0000 67.7361 25.4374 26.3623 S.Moal M10 0.0063 nan incorrect 24/ 88 0.0000 1.0000 67.7582 25.4398 26.3517 S.Fernandez-Recio M10 0.0063 nan incorrect 5/ 88 0.0000 1.0000 65.6253 30.7243 32.0449 Huang M04 0.0063 nan incorrect 0/ 88 0.0000 nan 69.9365 23.0445 24.1343 S.Fernandez-Recio M08 0.0062 nan incorrect 13/ 88 0.0000 1.0000 68.3271 25.6834 26.5976 LZERD M08 0.0062 nan incorrect 3/ 88 0.0000 1.0000 66.4528 30.0018 31.5132 Ritchie M05 0.0062 nan incorrect 19/ 88 0.0000 1.0000 70.9436 22.5341 23.7625 Venclovas M04 0.0061 nan incorrect 54/ 88 0.0000 1.0000 70.0114 24.1061 25.4113 Takeda-Shitaka M08 0.0061 nan incorrect 85/ 88 0.0000 1.0000 69.8530 24.8799 26.1210 Takeda-Shitaka M05 0.0061 nan incorrect 80/ 88 0.0000 1.0000 69.1810 26.0226 27.0167 S.Kihara M09 0.0060 nan incorrect 56/ 88 0.0000 1.0000 73.8899 21.0960 21.5868 S.Chang M08 0.0060 nan incorrect 70/ 88 0.0000 1.0000 73.9610 21.1275 21.8684 S.Venclovas M10 0.0060 nan incorrect 70/ 88 0.0000 1.0000 73.9611 21.1275 21.8684 S.Fernandez-Recio M06 0.0060 nan incorrect 31/ 88 0.0000 1.0000 74.1793 21.2405 22.0153 GRAMM-X M10 0.0060 nan incorrect 27/ 88 0.0000 1.0000 68.3923 28.8834 29.7106 Takeda-Shitaka M10 0.0059 nan incorrect 84/ 88 0.0000 1.0000 69.9941 26.1900 27.4691 S.Zou M06 0.0059 nan incorrect 17/ 88 0.0000 1.0000 68.5692 29.0908 29.9984 S.Weng M09 0.0059 nan incorrect 12/ 88 0.0000 1.0000 68.5692 29.0908 30.0411 S.Chang M02 0.0059 nan incorrect 17/ 88 0.0000 1.0000 68.5692 29.0908 29.9984 Huang M10 0.0059 nan incorrect 1/ 88 0.0000 1.0000 70.9815 24.8534 25.9539 S.Chang M09 0.0059 nan incorrect 12/ 88 0.0000 1.0000 72.1080 23.7977 24.8222 Zou M09 0.0059 nan incorrect 16/ 88 0.0000 1.0000 66.7350 36.6101 36.7727 S.Grudinin M08 0.0058 nan incorrect 41/ 88 0.0000 1.0000 67.1315 36.7198 36.8944 Fernandez-Recio M06 0.0058 nan incorrect 0/ 88 0.0000 nan 67.2583 36.1101 37.4877 Takeda-Shitaka M06 0.0058 nan incorrect 30/ 88 0.0000 1.0000 71.5504 25.5747 26.9869 Takeda-Shitaka M01 0.0057 nan incorrect 32/ 88 0.0000 1.0000 71.9274 25.7623 26.9639 Guerois M09 0.0057 nan incorrect 24/ 88 0.0000 1.0000 68.3219 35.3162 36.8577 Wallner M01 0.0057 nan incorrect 1/ 88 0.0000 1.0000 69.5318 31.2630 32.3815 Kihara M06 0.0056 nan incorrect 6/ 88 0.0000 1.0000 72.5010 26.5044 28.1452 Kihara M02 0.0056 nan incorrect 5/ 88 0.0000 1.0000 72.5051 26.5124 28.1234 Kihara M01 0.0056 nan incorrect 4/ 88 0.0000 1.0000 72.5089 26.5114 28.1594 GRAMM-X M07 0.0055 nan incorrect 15/ 88 0.0000 1.0000 72.2341 27.7635 28.6612 Zou M03 0.0055 nan incorrect 6/ 88 0.0000 1.0000 71.7601 28.7174 29.1374 S.Grudinin M09 0.0055 nan incorrect 4/ 88 0.0000 1.0000 71.8633 28.7986 29.2252 LZERD M06 0.0055 nan incorrect 0/ 88 0.0000 nan 69.5595 35.9590 37.5887 Kihara M09 0.0055 nan incorrect 2/ 88 0.0000 1.0000 73.0650 27.1095 27.9989 LZERD M05 0.0054 nan incorrect 12/ 88 0.0000 1.0000 71.4897 31.6686 33.4101 LZERD M01 0.0053 nan incorrect 1/ 88 0.0000 1.0000 74.2500 27.0114 28.5935 Iwadate M01 0.0051 nan incorrect 0/ 88 0.0000 nan 73.5939 31.5483 33.3182 GRAMM-X M08 0.0047 nan incorrect 17/ 88 0.0000 1.0000 81.4131 25.8310 26.3944 LZERD M04 0.0046 nan incorrect 0/ 88 0.0000 nan 77.8997 32.9133 34.7093 Iwadate M02 0.0040 nan incorrect 0/ 88 0.0000 1.0000 93.1100 24.2218 24.7734 Kihara M04 0.0031 nan incorrect 5/ 88 0.0000 1.0000 100.9390 30.5511 31.3575 Kihara M03 0.0031 nan incorrect 8/ 88 0.0000 1.0000 100.9433 30.5568 31.3034 Kihara M07 0.0031 nan incorrect 8/ 88 0.0000 1.0000 100.9535 30.5650 31.3195 S.Vakser M06 nan nan low_id,incorrect 62/ 88 nan 1.0000 51.0193 9.2814 9.7098 S.Vakser M04 nan nan low_id,incorrect 49/ 88 nan 1.0000 59.9829 13.5172 16.0105 S.Oliva M10 nan nan low_id,incorrect 48/ 88 nan 1.0000 34.5298 9.6445 11.0418 S.Oliva M09 nan nan low_id,clashes,incorrect 111/ 88 nan 1.0000 48.4975 8.8413 9.0513 S.Oliva M08 nan nan low_id,clashes,incorrect 104/ 88 nan 1.0000 40.5360 8.2134 9.5918 S.Oliva M06 nan nan low_id,incorrect 16/ 88 nan 1.0000 42.2442 8.9810 9.5525 S.Oliva M05 nan nan low_id,incorrect 9/ 88 nan 1.0000 34.4290 6.8251 7.0186 S.Oliva M04 nan nan low_id,incorrect 79/ 88 nan 1.0000 44.1630 7.8154 8.0840 S.Oliva M03 nan nan low_id,incorrect 51/ 88 nan 1.0000 43.5599 8.9268 10.1512 S.Oliva M02 nan nan low_id,incorrect 52/ 88 nan 1.0000 44.0576 7.6166 8.8382 S.Oliva M01 nan nan low_id,incorrect 59/ 88 nan 1.0000 69.2693 16.0195 17.3066 S.Moal M08 nan nan low_id,incorrect 16/ 88 nan 1.0000 33.7537 7.9400 9.6137 S.Moal M07 nan nan low_id,incorrect 7/ 88 nan 1.0000 44.1567 7.8384 8.1206 S.Kihara M08 nan nan low_id,incorrect 39/ 88 nan 1.0000 42.6445 12.0644 13.3837 S.Kihara M03 nan nan low_id,incorrect 21/ 88 nan 1.0000 46.9754 13.5130 15.2124 S.Bonvin M04 nan nan low_id,incorrect 23/ 88 nan 1.0000 42.6481 12.0647 13.1919 S.Bonvin M02 nan nan low_id,incorrect 20/ 88 nan 1.0000 43.5636 8.9366 10.1366

Target: T117.5

Group Model DockQ Zscore Classification nclash fnat fnonnat lrmsd irmsdbb irmsdsc S.Moal M01 0.0692 4.5212 incorrect 6/ 92 0.0000 1.0000 17.7938 10.0723 11.0357 Eisenstein M07 0.0669 4.3249 incorrect 67/ 92 0.1724 0.9567 57.6466 17.8793 18.4943 Gray M08 0.0537 3.1847 incorrect 1/ 92 0.0000 1.0000 20.5743 12.0652 13.1224 S.Seok M01 0.0528 3.1092 incorrect 13/ 92 0.0000 1.0000 20.8599 11.7644 12.8810 S.LZERD M03 0.0516 3.0021 incorrect 11/ 92 0.0000 1.0000 21.0829 12.2170 13.3581 S.LZERD M04 0.0515 3.0011 incorrect 9/ 92 0.0000 1.0000 21.0873 12.2103 13.3809 S.LZERD M02 0.0515 3.0005 incorrect 13/ 92 0.0000 1.0000 21.0882 12.2145 13.3523 S.LZERD M10 0.0515 3.0001 incorrect 10/ 92 0.0000 1.0000 21.0879 12.2222 13.3152 S.LZERD M01 0.0515 2.9993 incorrect 12/ 92 0.0000 1.0000 21.0915 12.2171 13.3476 S.LZERD M05 0.0515 2.9977 incorrect 11/ 92 0.0000 1.0000 21.0960 12.2185 13.3462 S.Seok M03 0.0501 2.8784 incorrect 19/ 92 0.0000 1.0000 21.4085 12.4997 13.6260 S.LZERD M08 0.0499 2.8598 incorrect 11/ 92 0.0000 1.0000 21.3526 13.1043 14.2204 Gray M10 0.0471 2.6162 incorrect 6/ 92 0.0000 1.0000 22.2099 12.8244 13.7765 S.SWARMDOCK M07 0.0470 2.6054 incorrect 15/ 92 0.0000 1.0000 22.2318 12.9013 14.0076 S.Huang M09 0.0468 2.5880 incorrect 9/ 92 0.0000 1.0000 22.4193 12.3263 12.8722 S.Huang M10 0.0465 2.5671 incorrect 54/ 92 0.0222 0.9959 25.8767 10.5128 11.0577 Guerois M08 0.0451 2.4467 incorrect 32/ 92 0.0690 0.9796 33.6534 18.7070 19.8612 Vakser M10 0.0425 2.2198 incorrect 52/ 92 0.0000 1.0000 24.1578 11.3033 12.5903 Ritchie M08 0.0415 2.1347 incorrect 40/ 92 0.0000 1.0000 24.1248 12.5523 13.5581 Gray M09 0.0415 2.1336 incorrect 11/ 92 0.0000 1.0000 23.8644 13.6754 14.7338 Moal M09 0.0399 1.9967 incorrect 79/ 92 0.0698 0.9885 42.1640 14.3171 14.9996 Moal M07 0.0399 1.9958 incorrect 84/ 92 0.0698 0.9888 42.1776 14.3210 15.0036 Moal M04 0.0399 1.9953 incorrect 85/ 92 0.0698 0.9887 42.1844 14.3254 15.0073 S.Vakser M08 0.0399 1.9952 incorrect 82/ 92 0.0698 0.9886 42.1635 14.3528 15.0272 S.Huang M08 0.0399 1.9952 incorrect 77/ 92 0.0698 0.9881 42.1635 14.3528 15.0272 Moal M03 0.0399 1.9952 incorrect 82/ 92 0.0698 0.9886 42.1635 14.3528 15.0272 S.Seok M02 0.0397 1.9767 incorrect 12/ 92 0.0000 1.0000 24.5546 13.6070 14.6359 Gray M01 0.0390 1.9174 incorrect 8/ 92 0.0000 1.0000 24.6732 14.3134 15.3233 Vakser M03 0.0377 1.8059 incorrect 29/ 92 0.0862 0.9632 58.8885 18.5903 18.8915 Gray M07 0.0376 1.7939 incorrect 2/ 92 0.0000 1.0000 25.1651 14.7371 15.7579 S.Kihara M04 0.0375 1.7898 incorrect 11/ 92 0.0000 1.0000 25.1825 14.7488 15.8780 S.LZERD M06 0.0375 1.7896 incorrect 8/ 92 0.0000 1.0000 25.1823 14.7555 15.8002 S.Kihara M10 0.0375 1.7886 incorrect 10/ 92 0.0000 1.0000 25.1862 14.7582 15.7962 S.LZERD M07 0.0373 1.7710 incorrect 11/ 92 0.0000 1.0000 25.2684 14.7707 15.7798 Gray M02 0.0370 1.7498 incorrect 3/ 92 0.0000 1.0000 25.3767 14.7400 15.7461 Gray M06 0.0369 1.7398 incorrect 9/ 92 0.0000 1.0000 25.3576 15.1054 16.0711 S.LZERD M09 0.0369 1.7378 incorrect 10/ 92 0.0000 1.0000 25.3653 15.1177 16.1722 Gray M04 0.0366 1.7084 incorrect 8/ 92 0.0000 1.0000 25.5856 14.7142 15.7939 Gray M03 0.0366 1.7084 incorrect 3/ 92 0.0000 1.0000 25.5856 14.7142 15.7719 Ritchie M01 0.0361 1.6665 incorrect 32/ 92 0.0000 1.0000 26.7805 11.5072 13.2947 S.Fernandez-Recio M09 0.0352 1.5925 incorrect 2/ 92 0.0000 1.0000 26.0115 15.5900 15.8493 Vajda,Kozakov M07 0.0347 1.5519 incorrect 2/ 92 0.0000 1.0000 26.8020 13.1437 14.0361 CLUSPRO M07 0.0347 1.5519 incorrect 2/ 92 0.0000 1.0000 26.8020 13.1437 14.0361 Ritchie M03 0.0343 1.5107 incorrect 19/ 92 0.0000 1.0000 27.5858 11.7261 13.5655 Takeda-Shitaka M09 0.0340 1.4916 incorrect 37/ 92 0.0862 0.9662 73.0811 29.3735 29.2870 S.Oliva M05 0.0339 1.4814 low_id,incorrect 9/ 92 0.0000 1.0000 27.8210 11.6112 12.0740 Wallner M02 0.0337 1.4616 incorrect 5/ 92 0.0172 0.9583 30.5554 13.5668 14.6538 S.SWARMDOCK M06 0.0333 1.4266 incorrect 21/ 92 0.0000 1.0000 26.9167 15.5616 16.3356 Eisenstein M06 0.0324 1.3519 incorrect 29/ 92 0.0172 0.9941 32.2730 12.0650 12.6515 S.Vakser M01 0.0321 1.3234 incorrect 79/ 92 0.0465 0.9923 42.2100 14.3376 15.0200 S.Huang M07 0.0321 1.3234 incorrect 74/ 92 0.0465 0.9920 42.2100 14.3376 15.0200 S.Chang M03 0.0321 1.3234 incorrect 79/ 92 0.0465 0.9923 42.2100 14.3376 15.0200 Wallner M05 0.0308 1.2085 incorrect 2/ 92 0.0000 1.0000 28.2161 15.6480 16.3069 Takeda-Shitaka M04 0.0293 1.0856 incorrect 45/ 92 0.0714 0.9701 71.4540 28.9604 28.8360 Seok M05 0.0285 1.0112 incorrect 30/ 92 0.0000 1.0000 29.5122 15.8803 16.5566 Grudinin M10 0.0284 1.0050 incorrect 7/ 92 0.0000 1.0000 30.2405 13.6067 14.8474 SWARMDOCK M01 0.0281 0.9814 incorrect 11/ 92 0.0000 1.0000 29.5941 16.4996 17.9446 Vakser M06 0.0279 0.9601 incorrect 47/ 92 0.0345 0.9909 40.9492 16.8542 17.8096 Vakser M05 0.0279 0.9597 incorrect 72/ 92 0.0345 0.9941 40.9454 16.8766 17.8319 Seok M04 0.0279 0.9581 incorrect 23/ 92 0.0000 1.0000 29.9148 15.8369 16.5118 S.Gray M10 0.0279 0.9569 incorrect 25/ 92 0.0000 1.0000 30.0437 15.3652 16.0766 Gray M05 0.0278 0.9490 incorrect 2/ 92 0.0000 1.0000 29.7998 16.6615 17.6853 S.Chang M05 0.0277 0.9429 incorrect 13/ 92 0.0000 1.0000 29.9223 16.2984 16.7729 Seok M08 0.0277 0.9413 incorrect 35/ 92 0.0000 1.0000 29.9750 16.1209 16.7462 Seok M07 0.0271 0.8924 incorrect 29/ 92 0.0000 1.0000 30.3476 16.1358 16.7768 Seok M01 0.0271 0.8917 incorrect 30/ 92 0.0000 1.0000 30.2916 16.3998 17.0694 S.Seok M09 0.0271 0.8909 incorrect 26/ 92 0.0000 1.0000 30.2892 16.4386 17.0371 S.Seok M07 0.0271 0.8902 incorrect 19/ 92 0.0000 1.0000 30.3291 16.2873 17.0193 Seok M09 0.0270 0.8796 incorrect 33/ 92 0.0000 1.0000 30.3961 16.3579 16.9799 Seok M03 0.0269 0.8757 incorrect 27/ 92 0.0000 1.0000 30.5415 15.8821 16.4226 S.Venclovas M04 0.0268 0.8664 incorrect 57/ 92 0.0000 1.0000 30.5086 16.3226 16.9484 S.Kihara M07 0.0268 0.8660 incorrect 25/ 92 0.0000 1.0000 30.5109 16.3259 17.0595 S.Venclovas M01 0.0268 0.8656 incorrect 57/ 92 0.0000 1.0000 30.5139 16.3248 16.9502 S.Oliva M10 0.0268 0.8648 low_id,incorrect 48/ 92 0.0000 1.0000 30.4161 16.7947 16.9730 Seok M06 0.0265 0.8404 incorrect 27/ 92 0.0000 1.0000 30.6860 16.4539 17.0960 S.Seok M10 0.0265 0.8371 incorrect 22/ 92 0.0000 1.0000 30.6376 16.7898 17.5460 SWARMDOCK M08 0.0264 0.8343 incorrect 6/ 92 0.0000 1.0000 30.7924 16.2119 17.5269 Seok M02 0.0261 0.8047 incorrect 23/ 92 0.0000 1.0000 30.9432 16.6010 17.1768 Eisenstein M08 0.0260 0.7950 incorrect 30/ 92 0.0345 0.9890 45.0903 15.6460 16.5022 S.Gray M09 0.0253 0.7345 incorrect 26/ 92 0.0000 1.0000 31.5836 16.4117 17.0903 S.Moal M08 0.0251 0.7227 low_id,incorrect 16/ 92 0.0000 1.0000 33.0310 12.9190 13.7609 S.Oliva M08 0.0248 0.6952 low_id,clashes,incorrect 104/ 92 0.0000 1.0000 33.0751 13.3318 13.8325 GRAMM-X M02 0.0247 0.6870 incorrect 35/ 92 0.0172 0.9902 37.3951 16.8738 17.9863 S.Weng M07 0.0244 0.6589 incorrect 38/ 92 0.0233 0.9958 42.1658 14.3273 15.1432 S.Weng M05 0.0244 0.6579 incorrect 34/ 92 0.0233 0.9959 42.1635 14.3528 15.3051 S.Weng M02 0.0244 0.6562 incorrect 36/ 92 0.0233 0.9958 42.2100 14.3376 15.2181 S.Weng M10 0.0244 0.6554 incorrect 38/ 92 0.0233 0.9962 42.2232 14.3408 15.1423 HADDOCK M03 0.0242 0.6434 incorrect 4/ 92 0.0000 1.0000 32.0831 17.7836 18.9874 S.Oliva M04 0.0239 0.6143 low_id,incorrect 79/ 92 0.0000 1.0000 35.8865 10.9199 11.8057 S.Moal M07 0.0239 0.6122 low_id,incorrect 7/ 92 0.0000 1.0000 35.8964 10.9335 11.8352 HADDOCK M02 0.0225 0.4986 incorrect 2/ 92 0.0000 1.0000 33.3756 18.2522 19.5262 S.Oliva M06 0.0225 0.4974 low_id,incorrect 16/ 92 0.0000 1.0000 34.2108 15.3718 15.7168 HADDOCK M04 0.0223 0.4752 incorrect 0/ 92 0.0000 1.0000 33.6968 17.8918 19.1099 S.SWARMDOCK M03 0.0222 0.4651 incorrect 15/ 92 0.0000 1.0000 33.4350 19.7275 20.8185 S.SWARMDOCK M09 0.0219 0.4410 incorrect 46/ 92 0.0000 1.0000 34.3797 16.6952 17.1658 Huang M07 0.0219 0.4410 incorrect 46/ 92 0.0000 1.0000 34.3797 16.6952 17.1658 Huang M02 0.0219 0.4410 incorrect 46/ 92 0.0000 1.0000 34.3797 16.6952 17.1658 S.Oliva M03 0.0206 0.3329 low_id,incorrect 51/ 92 0.0000 1.0000 36.2775 15.0665 15.3452 S.Bonvin M02 0.0206 0.3324 low_id,incorrect 20/ 92 0.0000 1.0000 36.2824 15.0706 15.3395 Vakser M04 0.0205 0.3198 incorrect 53/ 92 0.0345 0.9924 58.8600 18.5819 18.8804 S.Seok M05 0.0203 0.3087 incorrect 0/ 92 0.0000 nan 35.1370 19.7615 20.7584 DelCarpio M01 0.0201 0.2918 incorrect 59/ 92 0.0000 1.0000 34.9350 22.2216 23.8365 S.Vakser M05 0.0200 0.2837 incorrect 20/ 92 0.0233 0.9833 48.2169 18.2579 19.2377 S.Bonvin M06 0.0199 0.2684 incorrect 2/ 92 0.0000 1.0000 35.8793 18.5863 19.9403 S.SWARMDOCK M10 0.0198 0.2602 incorrect 30/ 92 0.0000 1.0000 36.4521 16.9632 17.8770 S.Kihara M06 0.0196 0.2415 incorrect 46/ 92 0.0000 1.0000 39.7596 12.1662 12.6444 S.Bonvin M01 0.0195 0.2348 incorrect 77/ 92 0.0000 1.0000 39.8288 12.2031 12.6989 DelCarpio M09 0.0192 0.2139 incorrect 41/ 92 0.0000 1.0000 35.9278 21.8024 22.6582 SWARMDOCK M10 0.0191 0.2025 incorrect 16/ 92 0.0000 1.0000 37.0726 17.3971 18.0772 SWARMDOCK M06 0.0191 0.2025 incorrect 16/ 92 0.0000 1.0000 37.0726 17.3971 18.0772 LZERD M03 0.0191 0.2016 incorrect 2/ 92 0.0000 1.0000 36.8093 18.3099 18.8663 S.Gray M06 0.0190 0.1948 incorrect 31/ 92 0.0000 1.0000 36.7295 18.9601 19.3452 GRAMM-X M04 0.0190 0.1913 incorrect 17/ 92 0.0000 1.0000 37.1656 17.5830 18.7766 Eisenstein M02 0.0190 0.1896 incorrect 38/ 92 0.0172 0.9949 46.9645 16.7498 17.4290 HADDOCK M01 0.0189 0.1812 incorrect 0/ 92 0.0000 1.0000 37.0866 18.2993 19.6529 Ritchie M02 0.0188 0.1777 incorrect 31/ 92 0.0000 1.0000 36.9861 18.8457 20.3932 Grudinin M08 0.0188 0.1723 incorrect 5/ 92 0.0172 0.9859 45.8944 19.4569 19.9954 Guerois M06 0.0187 0.1651 incorrect 35/ 92 0.0000 1.0000 36.5890 21.5615 22.3159 S.Gray M02 0.0185 0.1491 incorrect 26/ 92 0.0000 1.0000 37.2909 19.1872 19.4472 Weng M05 0.0184 0.1392 incorrect 0/ 92 0.0000 1.0000 37.5658 18.6671 19.2173 S.Seok M08 0.0184 0.1390 incorrect 32/ 92 0.0000 1.0000 37.5967 18.5647 18.9059 Vakser M07 0.0184 0.1377 incorrect 52/ 92 0.0000 1.0000 38.4210 16.2907 17.7390 S.Gray M08 0.0182 0.1242 incorrect 25/ 92 0.0000 1.0000 37.6758 19.0469 19.4810 S.Gray M05 0.0182 0.1211 incorrect 23/ 92 0.0000 1.0000 37.7182 19.0529 19.3456 S.Gray M04 0.0181 0.1151 incorrect 29/ 92 0.0000 1.0000 37.5494 20.0976 20.4213 Vakser M08 0.0180 0.1102 incorrect 79/ 92 0.0000 1.0000 38.9787 15.9939 16.7186 S.Gray M01 0.0180 0.1067 incorrect 29/ 92 0.0000 1.0000 37.8278 19.4249 19.7573 S.Gray M07 0.0179 0.0973 incorrect 30/ 92 0.0000 1.0000 38.0488 19.1005 19.4846 S.Kihara M08 0.0178 0.0854 low_id,incorrect 39/ 92 0.0000 1.0000 38.0288 19.8638 19.9486 S.Bonvin M04 0.0177 0.0850 low_id,incorrect 23/ 92 0.0000 1.0000 38.0331 19.8752 19.8614 S.Seok M06 0.0177 0.0793 incorrect 31/ 92 0.0000 1.0000 38.3368 19.0182 19.3355 S.SWARMDOCK M05 0.0176 0.0733 incorrect 28/ 92 0.0000 1.0000 40.8662 13.9918 15.3464 SWARMDOCK M07 0.0176 0.0733 incorrect 28/ 92 0.0000 1.0000 40.8663 13.9918 15.3464 Guerois M07 0.0174 0.0572 incorrect 27/ 92 0.0000 1.0000 38.8111 18.5442 18.9837 S.Seok M04 0.0173 0.0473 incorrect 32/ 92 0.0000 1.0000 38.8178 19.0341 19.3661 Weng M02 0.0172 0.0361 incorrect 0/ 92 0.0000 nan 38.8092 19.7058 20.4088 GRAMM-X M05 0.0172 0.0351 incorrect 31/ 92 0.0000 1.0000 41.1444 14.5131 15.7683 S.Grudinin M04 0.0170 0.0205 incorrect 4/ 92 0.0000 1.0000 38.4524 22.5494 23.4561 DelCarpio M06 0.0170 0.0193 incorrect 9/ 92 0.0000 1.0000 38.2160 24.2419 24.7666 Zou M07 0.0170 0.0175 incorrect 10/ 92 0.0000 1.0000 38.5232 22.4034 23.3470 S.Zou M07 0.0170 0.0175 incorrect 10/ 92 0.0000 1.0000 38.5232 22.4034 23.3470 S.Venclovas M09 0.0169 0.0161 incorrect 81/ 92 0.0000 1.0000 39.3704 18.8332 19.1913 S.Venclovas M03 0.0169 0.0160 incorrect 81/ 92 0.0000 1.0000 39.3714 18.8366 19.1943 S.Venclovas M08 0.0169 0.0159 incorrect 81/ 92 0.0000 1.0000 39.3731 18.8321 19.1904 S.Venclovas M07 0.0169 0.0159 incorrect 81/ 92 0.0000 1.0000 39.3734 18.8345 19.1925 S.Venclovas M06 0.0169 0.0159 incorrect 81/ 92 0.0000 1.0000 39.3734 18.8345 19.1925 S.Venclovas M05 0.0169 0.0159 incorrect 81/ 92 0.0000 1.0000 39.3734 18.8345 19.1925 S.Venclovas M02 0.0169 0.0159 incorrect 81/ 92 0.0000 1.0000 39.3734 18.8345 19.1925 Huang M09 0.0169 0.0096 incorrect 8/ 92 0.0000 1.0000 39.3810 19.1422 19.9646 S.Gray M03 0.0167 -0.0020 incorrect 28/ 92 0.0000 1.0000 39.5312 19.2719 19.5445 Zacharias M07 0.0166 -0.0141 incorrect 4/ 92 0.0000 1.0000 39.6447 19.5687 20.4549 S.Vakser M06 0.0165 -0.0222 low_id,incorrect 62/ 92 0.0000 1.0000 43.0956 13.5752 13.9727 Chang M09 0.0162 -0.0449 incorrect 0/ 92 0.0000 1.0000 39.9803 20.2195 20.8652 HADDOCK M09 0.0162 -0.0480 incorrect 1/ 92 0.0000 1.0000 39.9692 20.4666 21.4902 SWARMDOCK M09 0.0161 -0.0538 incorrect 21/ 92 0.0000 1.0000 42.9399 14.4216 15.6554 Guerois M10 0.0161 -0.0596 incorrect 21/ 92 0.0000 1.0000 40.1863 20.3837 21.1030 S.Bonvin M08 0.0160 -0.0654 incorrect 0/ 92 0.0000 1.0000 41.1679 17.7146 19.0485 Chang M10 0.0160 -0.0663 incorrect 6/ 92 0.0000 1.0000 41.4029 17.2187 17.9685 Shen M04 0.0159 -0.0778 incorrect 24/ 92 0.0000 1.0000 41.4470 17.5952 18.2689 Shen M09 0.0158 -0.0789 incorrect 26/ 92 0.0000 1.0000 41.4631 17.6066 18.2942 Shen M05 0.0158 -0.0791 incorrect 23/ 92 0.0000 1.0000 41.4737 17.5919 18.2619 Shen M06 0.0158 -0.0803 incorrect 25/ 92 0.0000 1.0000 41.4845 17.6148 18.2882 Shen M03 0.0158 -0.0809 incorrect 25/ 92 0.0000 1.0000 41.5014 17.6027 18.2842 Shen M10 0.0158 -0.0818 incorrect 26/ 92 0.0000 1.0000 41.5216 17.5977 18.2885 Shen M08 0.0158 -0.0840 incorrect 24/ 92 0.0000 1.0000 41.5502 17.6246 18.3064 Shen M01 0.0158 -0.0855 incorrect 19/ 92 0.0000 1.0000 41.5008 17.8050 18.4808 SWARMDOCK M04 0.0157 -0.0920 incorrect 24/ 92 0.0000 1.0000 43.5595 14.6312 15.8236 Shen M02 0.0156 -0.0958 incorrect 19/ 92 0.0000 1.0000 41.7471 17.6829 18.3681 Vakser M02 0.0156 -0.0982 incorrect 84/ 92 0.0172 0.9952 56.5191 17.1988 17.8027 Vakser M01 0.0156 -0.0982 clashes,incorrect 108/ 92 0.0172 0.9970 56.5210 17.1977 17.7931 Wallner M06 0.0155 -0.1099 incorrect 2/ 92 0.0000 1.0000 42.6556 16.4278 16.7506 Zacharias M05 0.0155 -0.1130 incorrect 6/ 92 0.0000 1.0000 41.0176 20.7979 21.6497 Chang M04 0.0152 -0.1319 incorrect 34/ 92 0.0000 1.0000 41.2020 21.4405 22.2857 Chang M03 0.0152 -0.1361 incorrect 27/ 92 0.0000 1.0000 41.2788 21.4424 22.2845 S.Oliva M09 0.0151 -0.1475 low_id,clashes,incorrect 111/ 92 0.0000 1.0000 45.9413 13.5803 13.9658 Shen M07 0.0150 -0.1484 incorrect 0/ 92 0.0000 nan 41.8892 20.0349 20.3324 DelCarpio M05 0.0148 -0.1728 incorrect 38/ 92 0.0000 1.0000 42.2290 20.4809 21.5683 S.SWARMDOCK M04 0.0148 -0.1728 incorrect 38/ 92 0.0000 1.0000 42.2290 20.4810 21.5683 Chang M07 0.0145 -0.1913 incorrect 6/ 92 0.0000 1.0000 43.3548 18.3858 19.0511 S.Kihara M01 0.0145 -0.1983 incorrect 5/ 92 0.0000 1.0000 42.3875 21.7681 22.3599 S.Kihara M03 0.0144 -0.2013 low_id,incorrect 21/ 92 0.0000 1.0000 42.3913 21.9905 22.0472 Eisenstein M05 0.0144 -0.2024 incorrect 33/ 92 0.0000 1.0000 45.4261 15.3873 15.8920 Eisenstein M04 0.0144 -0.2026 incorrect 32/ 92 0.0000 1.0000 45.4363 15.3807 15.8894 Eisenstein M01 0.0144 -0.2027 incorrect 31/ 92 0.0000 1.0000 45.4358 15.3843 15.8820 GRAMM-X M06 0.0142 -0.2198 incorrect 41/ 92 0.0000 1.0000 46.0579 15.1543 15.6874 Ritchie M09 0.0140 -0.2350 incorrect 28/ 92 0.0000 1.0000 45.3875 16.4707 17.6812 HADDOCK M05 0.0140 -0.2391 incorrect 1/ 92 0.0000 1.0000 44.7391 17.7031 18.8483 S.Bonvin M10 0.0140 -0.2391 incorrect 1/ 92 0.0000 1.0000 44.7391 17.7055 18.8463 Grudinin M05 0.0140 -0.2393 incorrect 12/ 92 0.0000 1.0000 44.8437 17.5188 18.2607 S.Zou M10 0.0140 -0.2398 incorrect 44/ 92 0.0000 1.0000 44.9012 17.4386 17.9243 Wallner M03 0.0139 -0.2451 incorrect 4/ 92 0.0000 1.0000 42.9496 23.4674 23.8437 Ritchie M04 0.0139 -0.2479 incorrect 21/ 92 0.0000 1.0000 44.5979 18.3913 19.3517 S.Oliva M02 0.0139 -0.2493 low_id,incorrect 52/ 92 0.0000 1.0000 44.5431 18.5773 18.5672 S.Zou M04 0.0138 -0.2514 incorrect 29/ 92 0.0000 1.0000 42.7631 25.1977 25.8541 Chang M08 0.0136 -0.2761 incorrect 4/ 92 0.0000 1.0000 44.0416 21.6666 22.3149 Wallner M07 0.0135 -0.2846 incorrect 3/ 92 0.0000 1.0000 43.8049 23.3792 23.8843 Vajda,Kozakov M10 0.0134 -0.2877 clashes,incorrect 95/ 92 0.0000 1.0000 43.7503 23.9613 24.4844 Vajda,Kozakov M09 0.0134 -0.2877 clashes,incorrect 94/ 92 0.0000 1.0000 43.7503 23.9613 24.4942 Vajda,Kozakov M08 0.0134 -0.2877 clashes,incorrect 95/ 92 0.0000 1.0000 43.7503 23.9613 24.4837 Vajda,Kozakov M06 0.0134 -0.2877 clashes,incorrect 93/ 92 0.0000 1.0000 43.7503 23.9613 24.4753 Vajda,Kozakov M05 0.0134 -0.2877 incorrect 92/ 92 0.0000 1.0000 43.7503 23.9613 24.4948 Vajda,Kozakov M04 0.0134 -0.2877 clashes,incorrect 94/ 92 0.0000 1.0000 43.7503 23.9613 24.4891 Vajda,Kozakov M03 0.0134 -0.2877 incorrect 92/ 92 0.0000 1.0000 43.7503 23.9613 24.4812 Vajda,Kozakov M02 0.0134 -0.2877 clashes,incorrect 93/ 92 0.0000 1.0000 43.7503 23.9613 24.4812 Vajda,Kozakov M01 0.0134 -0.2877 clashes,incorrect 96/ 92 0.0000 1.0000 43.7503 23.9613 24.4808 CLUSPRO M10 0.0134 -0.2877 clashes,incorrect 95/ 92 0.0000 1.0000 43.7503 23.9613 24.4844 CLUSPRO M09 0.0134 -0.2877 clashes,incorrect 94/ 92 0.0000 1.0000 43.7503 23.9613 24.4942 CLUSPRO M08 0.0134 -0.2877 clashes,incorrect 95/ 92 0.0000 1.0000 43.7503 23.9613 24.4837 CLUSPRO M06 0.0134 -0.2877 clashes,incorrect 93/ 92 0.0000 1.0000 43.7503 23.9613 24.4753 CLUSPRO M05 0.0134 -0.2877 incorrect 92/ 92 0.0000 1.0000 43.7503 23.9613 24.4948 CLUSPRO M04 0.0134 -0.2877 clashes,incorrect 94/ 92 0.0000 1.0000 43.7503 23.9613 24.4891 CLUSPRO M03 0.0134 -0.2877 incorrect 92/ 92 0.0000 1.0000 43.7503 23.9613 24.4812 CLUSPRO M02 0.0134 -0.2877 clashes,incorrect 93/ 92 0.0000 1.0000 43.7503 23.9613 24.4812 CLUSPRO M01 0.0134 -0.2877 clashes,incorrect 96/ 92 0.0000 1.0000 43.7503 23.9613 24.4808 Eisenstein M03 0.0134 -0.2938 incorrect 36/ 92 0.0000 1.0000 47.0537 16.2349 17.2859 Huang M08 0.0133 -0.2972 incorrect 22/ 92 0.0000 1.0000 44.8867 20.4959 21.4557 Huang M06 0.0133 -0.2972 incorrect 22/ 92 0.0000 1.0000 44.8867 20.4959 21.4557 Grudinin M03 0.0131 -0.3118 incorrect 18/ 92 0.0000 1.0000 44.8003 21.8468 22.6334 Zou M01 0.0131 -0.3132 incorrect 15/ 92 0.0000 1.0000 44.1375 24.8516 26.2144 S.Grudinin M02 0.0131 -0.3132 incorrect 17/ 92 0.0000 1.0000 44.1470 24.8066 26.1731 Fernandez-Recio M01 0.0129 -0.3358 incorrect 3/ 92 0.0000 1.0000 45.0579 22.9862 23.5452 Chang M06 0.0129 -0.3367 incorrect 21/ 92 0.0000 1.0000 45.2091 22.4862 23.1707 Chang M01 0.0129 -0.3370 incorrect 21/ 92 0.0000 1.0000 45.2160 22.4907 23.1704 Chang M02 0.0129 -0.3371 incorrect 23/ 92 0.0000 1.0000 45.2179 22.4918 23.1710 HADDOCK M06 0.0124 -0.3738 incorrect 0/ 92 0.0000 1.0000 47.5372 18.8345 20.0441 S.Zou M03 0.0124 -0.3757 incorrect 40/ 92 0.0000 1.0000 49.5497 16.0775 16.5814 S.Zou M08 0.0123 -0.3870 incorrect 12/ 92 0.0000 1.0000 46.3426 22.8913 23.0243 Zacharias M10 0.0123 -0.3874 incorrect 0/ 92 0.0000 1.0000 46.4565 22.5192 22.3408 Seok M10 0.0122 -0.3903 incorrect 34/ 92 0.0000 1.0000 46.6358 22.1690 22.1075 Kihara M05 0.0122 -0.3968 incorrect 2/ 92 0.0000 1.0000 49.1659 17.3015 17.8823 Takeda-Shitaka M05 0.0120 -0.4140 incorrect 80/ 92 0.0179 0.9942 69.0510 27.0901 26.8484 S.Grudinin M10 0.0119 -0.4203 incorrect 4/ 92 0.0000 1.0000 47.1691 23.0616 24.2109 SWARMDOCK M03 0.0118 -0.4252 incorrect 4/ 92 0.0000 1.0000 47.2875 23.1032 24.1451 Weng M09 0.0118 -0.4277 incorrect 0/ 92 0.0000 nan 46.9478 24.7175 25.4808 S.Zou M09 0.0118 -0.4300 incorrect 9/ 92 0.0000 1.0000 47.3197 23.4658 23.5910 Moal M06 0.0118 -0.4300 incorrect 9/ 92 0.0000 1.0000 47.3197 23.4658 23.5910 S.Kihara M02 0.0117 -0.4363 incorrect 8/ 92 0.0000 1.0000 48.7413 19.9988 21.0203 Takeda-Shitaka M10 0.0116 -0.4455 incorrect 84/ 92 0.0172 0.9946 69.9242 27.2145 27.0382 HADDOCK M07 0.0115 -0.4536 incorrect 0/ 92 0.0000 nan 47.7791 24.1921 25.1734 S.Bonvin M09 0.0114 -0.4583 incorrect 6/ 92 0.0000 1.0000 48.0309 23.7388 24.4359 S.Fernandez-Recio M07 0.0113 -0.4694 incorrect 3/ 92 0.0000 1.0000 48.1688 24.4196 24.4903 Kihara M10 0.0113 -0.4745 incorrect 4/ 92 0.0000 1.0000 48.7000 23.0444 24.3533 Kihara M08 0.0113 -0.4746 incorrect 5/ 92 0.0000 1.0000 48.7011 23.0483 24.3644 S.Vakser M03 0.0112 -0.4782 incorrect 2/ 92 0.0000 1.0000 49.9141 20.2233 21.0722 S.Vakser M10 0.0112 -0.4820 incorrect 8/ 92 0.0000 1.0000 49.2679 22.0290 23.2275 Fernandez-Recio M04 0.0111 -0.4857 incorrect 1/ 92 0.0000 1.0000 48.8974 23.4936 23.8010 Zou M02 0.0109 -0.5068 incorrect 13/ 92 0.0000 1.0000 49.8917 22.4321 23.4160 S.Zou M02 0.0109 -0.5068 incorrect 13/ 92 0.0000 1.0000 49.8917 22.4321 23.4160 S.Weng M03 0.0109 -0.5068 incorrect 5/ 92 0.0000 1.0000 49.8917 22.4321 23.1911 S.Grudinin M01 0.0109 -0.5095 incorrect 7/ 92 0.0000 1.0000 49.9790 22.4302 23.4268 HADDOCK M08 0.0108 -0.5156 incorrect 6/ 92 0.0000 1.0000 49.5231 24.4940 25.1540 S.Kihara M05 0.0108 -0.5159 incorrect 12/ 92 0.0000 1.0000 49.5322 24.4970 25.2433 Fernandez-Recio M05 0.0108 -0.5185 incorrect 2/ 92 0.0000 1.0000 49.6084 24.5123 24.7360 S.Grudinin M07 0.0107 -0.5199 incorrect 33/ 92 0.0000 1.0000 50.2762 22.5330 23.2132 Weng M10 0.0107 -0.5230 incorrect 90/ 92 0.0000 1.0000 50.2342 22.9343 23.4415 Weng M08 0.0107 -0.5230 incorrect 89/ 92 0.0000 1.0000 50.2342 22.9343 23.3393 Weng M07 0.0107 -0.5230 clashes,incorrect 93/ 92 0.0000 1.0000 50.2342 22.9343 23.3885 Weng M06 0.0107 -0.5230 incorrect 90/ 92 0.0000 1.0000 50.2342 22.9343 23.3819 Weng M04 0.0107 -0.5230 clashes,incorrect 93/ 92 0.0000 1.0000 50.2342 22.9343 23.3164 Weng M03 0.0107 -0.5230 clashes,incorrect 95/ 92 0.0000 1.0000 50.2342 22.9343 23.3910 Weng M01 0.0107 -0.5230 clashes,incorrect 96/ 92 0.0000 1.0000 50.2342 22.9343 23.4132 HADDOCK M10 0.0106 -0.5275 incorrect 2/ 92 0.0000 1.0000 50.0040 24.1139 25.0361 Zou M04 0.0106 -0.5281 incorrect 22/ 92 0.0000 1.0000 50.5248 22.5835 23.5066 Grudinin M02 0.0106 -0.5282 incorrect 24/ 92 0.0000 1.0000 50.4830 22.7065 22.9769 Fernandez-Recio M03 0.0105 -0.5371 incorrect 9/ 92 0.0000 1.0000 49.9776 25.3428 26.2229 DelCarpio M10 0.0105 -0.5392 incorrect 0/ 92 0.0000 nan 49.1748 29.8500 29.9787 Zacharias M09 0.0105 -0.5442 incorrect 2/ 92 0.0000 1.0000 51.2723 22.0395 22.1357 S.Huang M02 0.0104 -0.5472 incorrect 6/ 92 0.0000 1.0000 50.5697 24.3652 24.4931 Chang M05 0.0103 -0.5553 incorrect 5/ 92 0.0000 1.0000 51.1802 23.2908 23.6880 SWARMDOCK M02 0.0102 -0.5629 incorrect 5/ 92 0.0000 1.0000 53.4714 19.2111 20.1346 DelCarpio M04 0.0102 -0.5652 incorrect 42/ 92 0.0000 1.0000 51.5830 23.1182 24.5799 DelCarpio M03 0.0102 -0.5657 incorrect 40/ 92 0.0000 1.0000 51.5994 23.1262 24.5879 LZERD M07 0.0102 -0.5697 incorrect 9/ 92 0.0000 1.0000 50.6657 26.9147 27.7976 S.Grudinin M06 0.0101 -0.5756 incorrect 23/ 92 0.0000 1.0000 50.5313 28.5678 28.4185 Zou M10 0.0101 -0.5775 incorrect 19/ 92 0.0000 1.0000 50.5867 28.6037 28.4376 S.Oliva M07 0.0101 -0.5775 incorrect 19/ 92 0.0000 1.0000 50.5867 28.6037 28.4376 Zou M06 0.0100 -0.5861 incorrect 30/ 92 0.0000 1.0000 54.2841 19.3565 19.8123 S.Bonvin M07 0.0099 -0.5896 incorrect 5/ 92 0.0000 1.0000 52.1535 23.9567 24.5089 S.SWARMDOCK M01 0.0098 -0.5970 incorrect 13/ 92 0.0000 1.0000 53.9597 20.5339 20.8443 Grudinin M01 0.0095 -0.6238 incorrect 11/ 92 0.0000 1.0000 53.8121 22.9700 23.1920 Ritchie M07 0.0095 -0.6260 incorrect 0/ 92 0.0000 1.0000 53.4595 24.1062 24.9432 S.Moal M04 0.0095 -0.6270 incorrect 3/ 92 0.0000 1.0000 53.7851 23.3411 23.1546 DelCarpio M08 0.0094 -0.6322 incorrect 72/ 92 0.0000 1.0000 56.3028 19.2857 20.3466 Zacharias M03 0.0094 -0.6352 incorrect 2/ 92 0.0000 1.0000 53.7382 24.3344 24.1045 S.Zou M05 0.0092 -0.6506 incorrect 32/ 92 0.0000 1.0000 54.0237 25.3088 25.7776 S.Fernandez-Recio M03 0.0092 -0.6526 incorrect 2/ 92 0.0000 1.0000 54.4645 24.2508 24.1504 S.Huang M06 0.0092 -0.6550 incorrect 4/ 92 0.0000 1.0000 54.6733 23.9604 23.8830 S.Chang M06 0.0092 -0.6550 incorrect 4/ 92 0.0000 1.0000 54.6734 23.9604 23.8830 Grudinin M07 0.0091 -0.6615 incorrect 2/ 92 0.0000 1.0000 56.3856 21.0391 22.3502 LZERD M10 0.0091 -0.6626 incorrect 0/ 92 0.0000 nan 53.5930 28.8102 28.8662 SWARMDOCK M05 0.0091 -0.6645 incorrect 2/ 92 0.0000 1.0000 55.0253 24.0691 24.4628 Eisenstein M09 0.0087 -0.6962 incorrect 28/ 92 0.0000 1.0000 59.3300 19.3730 20.0125 Zacharias M04 0.0087 -0.6991 incorrect 5/ 92 0.0000 1.0000 56.2706 24.7439 24.7322 Ritchie M06 0.0086 -0.7080 incorrect 0/ 92 0.0000 1.0000 56.6020 24.9289 25.5354 Zacharias M06 0.0085 -0.7094 incorrect 4/ 92 0.0000 1.0000 59.5997 19.8492 20.0513 Huang M03 0.0084 -0.7182 incorrect 10/ 92 0.0000 1.0000 56.8413 25.5477 25.5196 Grudinin M06 0.0084 -0.7185 incorrect 1/ 92 0.0000 1.0000 57.9113 23.0778 23.5088 S.Weng M08 0.0084 -0.7207 incorrect 7/ 92 0.0000 1.0000 57.4949 24.1882 25.4391 S.Bonvin M03 0.0084 -0.7207 incorrect 10/ 92 0.0000 1.0000 57.4949 24.1882 25.1812 Huang M01 0.0084 -0.7210 incorrect 15/ 92 0.0000 1.0000 56.9818 25.5259 25.5014 S.SWARMDOCK M02 0.0084 -0.7250 incorrect 1/ 92 0.0000 1.0000 58.8738 21.9399 22.4596 Wallner M08 0.0083 -0.7321 incorrect 6/ 92 0.0000 1.0000 58.8619 22.5702 23.1542 S.Moal M03 0.0082 -0.7392 incorrect 80/ 92 0.0000 1.0000 62.8731 18.3630 18.5996 S.Vakser M07 0.0082 -0.7410 incorrect 76/ 92 0.0000 1.0000 62.9442 18.3933 18.6189 S.Vakser M09 0.0082 -0.7415 incorrect 76/ 92 0.0000 1.0000 62.9773 18.3958 18.6150 Moal M08 0.0082 -0.7415 incorrect 76/ 92 0.0000 1.0000 62.9773 18.3958 18.6150 S.Vakser M02 0.0082 -0.7426 incorrect 74/ 92 0.0000 1.0000 63.0132 18.4197 18.6075 Moal M05 0.0082 -0.7426 incorrect 74/ 92 0.0000 1.0000 63.0132 18.4197 18.6075 S.Weng M04 0.0081 -0.7504 incorrect 24/ 92 0.0000 1.0000 58.1663 26.1552 26.3750 S.Huang M03 0.0081 -0.7504 incorrect 26/ 92 0.0000 1.0000 58.1663 26.1552 26.1732 S.Chang M01 0.0081 -0.7504 incorrect 29/ 92 0.0000 1.0000 58.1663 26.1552 26.1733 LZERD M09 0.0081 -0.7505 incorrect 0/ 92 0.0000 nan 57.0943 29.9587 29.9001 Zacharias M08 0.0080 -0.7553 incorrect 0/ 92 0.0000 1.0000 58.3729 26.2611 26.0018 DelCarpio M07 0.0080 -0.7588 incorrect 15/ 92 0.0000 1.0000 59.1876 24.6510 25.9988 Ritchie M10 0.0079 -0.7625 incorrect 6/ 92 0.0000 1.0000 58.9309 25.7322 26.1453 S.SWARMDOCK M08 0.0079 -0.7655 incorrect 6/ 92 0.0000 1.0000 60.4300 22.9262 23.4029 S.Chang M07 0.0079 -0.7660 incorrect 4/ 92 0.0000 1.0000 58.3689 27.9191 27.8239 Moal M02 0.0079 -0.7660 incorrect 4/ 92 0.0000 1.0000 58.3689 27.9191 27.8239 S.Moal M09 0.0079 -0.7664 incorrect 4/ 92 0.0000 1.0000 58.3902 27.9136 27.7996 Wallner M09 0.0078 -0.7688 incorrect 5/ 92 0.0000 1.0000 60.5078 23.1071 23.6283 Zacharias M02 0.0077 -0.7785 incorrect 9/ 92 0.0000 1.0000 63.1551 20.3220 20.1662 Grudinin M04 0.0076 -0.7878 incorrect 3/ 92 0.0000 1.0000 59.1052 29.2509 29.8163 S.Huang M01 0.0076 -0.7894 incorrect 38/ 92 0.0000 1.0000 58.5737 31.8813 32.3337 Zou M05 0.0076 -0.7894 incorrect 38/ 92 0.0000 1.0000 58.5738 31.8813 32.3337 S.Zou M01 0.0076 -0.7894 incorrect 38/ 92 0.0000 1.0000 58.5738 31.8813 32.3337 S.Weng M01 0.0076 -0.7894 incorrect 19/ 92 0.0000 1.0000 58.5738 31.8813 32.3137 S.Grudinin M03 0.0076 -0.7906 incorrect 18/ 92 0.0000 1.0000 58.6895 31.6152 32.0591 Wallner M04 0.0075 -0.7974 incorrect 0/ 92 0.0000 nan 61.4105 24.4344 24.6635 S.Vakser M04 0.0075 -0.7978 low_id,incorrect 49/ 92 0.0000 1.0000 60.8230 25.7419 25.7460 S.Grudinin M05 0.0075 -0.7984 incorrect 22/ 92 0.0000 1.0000 60.6860 26.1640 26.7318 Zou M08 0.0075 -0.8012 incorrect 36/ 92 0.0000 1.0000 60.7183 26.4663 26.8073 S.Chang M10 0.0075 -0.8012 incorrect 36/ 92 0.0000 1.0000 60.7183 26.4663 26.8073 Zacharias M01 0.0075 -0.8021 incorrect 15/ 92 0.0000 1.0000 61.8687 24.0847 23.5431 S.Weng M06 0.0074 -0.8036 incorrect 26/ 92 0.0000 1.0000 63.9223 21.2399 21.4335 Moal M01 0.0074 -0.8036 incorrect 74/ 92 0.0000 1.0000 63.9223 21.2399 21.3373 S.Oliva M01 0.0074 -0.8050 low_id,incorrect 59/ 92 0.0000 1.0000 63.4451 21.9324 21.7475 S.Fernandez-Recio M02 0.0074 -0.8057 incorrect 4/ 92 0.0000 1.0000 60.2031 28.7248 28.7464 Eisenstein M10 0.0074 -0.8078 incorrect 24/ 92 0.0000 1.0000 63.2149 22.4807 22.9617 S.Chang M04 0.0074 -0.8086 incorrect 10/ 92 0.0000 1.0000 61.0363 26.7374 26.6087 Guerois M01 0.0074 -0.8094 incorrect 29/ 92 0.0000 1.0000 59.4655 32.5996 32.2663 DelCarpio M02 0.0074 -0.8099 incorrect 25/ 92 0.0000 1.0000 60.3677 28.9510 28.9306 Fernandez-Recio M08 0.0074 -0.8106 incorrect 0/ 92 0.0000 nan 60.6237 28.2282 28.6814 S.Huang M05 0.0074 -0.8108 incorrect 8/ 92 0.0000 1.0000 62.9316 23.1752 22.8070 S.Fernandez-Recio M05 0.0071 -0.8302 incorrect 10/ 92 0.0000 1.0000 63.9753 23.4782 23.2107 Guerois M02 0.0071 -0.8320 incorrect 26/ 92 0.0000 1.0000 60.8978 31.6437 30.8021 GRAMM-X M03 0.0071 -0.8327 incorrect 41/ 92 0.0000 1.0000 64.4502 23.0175 23.1640 Guerois M03 0.0070 -0.8405 incorrect 30/ 92 0.0000 1.0000 61.1540 32.6811 32.2991 Grudinin M09 0.0070 -0.8407 incorrect 8/ 92 0.0000 1.0000 67.7796 20.0551 20.5152 S.Huang M04 0.0070 -0.8424 incorrect 18/ 92 0.0000 1.0000 64.1236 24.5397 24.3022 Moal M10 0.0070 -0.8424 incorrect 18/ 92 0.0000 1.0000 64.1236 24.5397 24.3022 S.Moal M10 0.0070 -0.8426 incorrect 24/ 92 0.0000 1.0000 64.1473 24.5288 24.2823 Fernandez-Recio M10 0.0070 -0.8430 incorrect 0/ 92 0.0000 nan 61.6191 31.2808 31.5755 Fernandez-Recio M02 0.0070 -0.8449 incorrect 33/ 92 0.0000 1.0000 64.2721 24.5705 24.9688 Fernandez-Recio M06 0.0070 -0.8450 incorrect 41/ 92 0.0000 1.0000 64.2760 24.5828 25.0464 Fernandez-Recio M07 0.0070 -0.8460 incorrect 9/ 92 0.0000 1.0000 64.3211 24.6125 25.0272 Guerois M05 0.0069 -0.8479 incorrect 25/ 92 0.0000 1.0000 61.5725 32.7361 32.5332 GRAMM-X M09 0.0069 -0.8510 incorrect 35/ 92 0.0000 1.0000 68.8300 19.8672 20.4329 S.Fernandez-Recio M08 0.0069 -0.8520 incorrect 13/ 92 0.0000 1.0000 64.5958 24.8408 24.5951 GRAMM-X M01 0.0069 -0.8529 incorrect 75/ 92 0.0000 1.0000 63.4890 27.2835 27.8127 Vakser M09 0.0069 -0.8531 incorrect 52/ 92 0.0000 1.0000 63.4676 27.3658 28.2505 S.Zou M06 0.0068 -0.8552 incorrect 17/ 92 0.0000 1.0000 63.4194 27.8265 28.4441 S.Weng M09 0.0068 -0.8552 incorrect 12/ 92 0.0000 1.0000 63.4194 27.8265 28.4150 S.Chang M02 0.0068 -0.8552 incorrect 17/ 92 0.0000 1.0000 63.4194 27.8265 28.4441 LZERD M02 0.0068 -0.8592 incorrect 2/ 92 0.0000 1.0000 62.3679 32.1669 33.4272 S.Chang M09 0.0068 -0.8623 incorrect 12/ 92 0.0000 1.0000 65.8261 23.9869 24.4137 Takeda-Shitaka M02 0.0067 -0.8651 incorrect 0/ 92 0.0000 1.0000 64.0444 27.8704 28.2424 Fernandez-Recio M09 0.0067 -0.8666 incorrect 0/ 92 0.0000 nan 62.5948 33.1794 33.4608 Venclovas M05 0.0067 -0.8684 low_id,clashes,incorrect 102/ 92 0.0000 1.0000 65.3897 25.4306 25.1051 Venclovas M03 0.0066 -0.8725 incorrect 63/ 92 0.0000 1.0000 66.9965 23.3763 23.4212 Takeda-Shitaka M07 0.0066 -0.8766 incorrect 1/ 92 0.0000 1.0000 64.6740 28.2088 28.5491 GRAMM-X M10 0.0065 -0.8846 incorrect 27/ 92 0.0000 1.0000 65.2710 28.0848 28.6483 Ritchie M05 0.0065 -0.8867 incorrect 25/ 92 0.0000 1.0000 66.5042 25.7771 25.7837 Venclovas M04 0.0065 -0.8873 clashes,incorrect 168/ 92 0.0000 1.0000 67.8116 23.7895 24.2827 Guerois M04 0.0064 -0.8939 incorrect 30/ 92 0.0000 1.0000 64.7813 31.4263 31.0659 S.Kihara M09 0.0064 -0.8943 incorrect 50/ 92 0.0000 1.0000 69.5279 22.4193 22.5195 Huang M10 0.0063 -0.9011 incorrect 33/ 92 0.0000 1.0000 69.2738 23.3365 23.4352 Huang M05 0.0063 -0.9011 incorrect 33/ 92 0.0000 1.0000 69.2738 23.3365 23.4352 S.Venclovas M10 0.0063 -0.9012 incorrect 14/ 92 0.0000 1.0000 68.7071 24.0707 24.9335 S.Chang M08 0.0063 -0.9012 incorrect 14/ 92 0.0000 1.0000 68.7071 24.0707 24.9335 S.Bonvin M05 0.0063 -0.9028 incorrect 0/ 92 0.0000 1.0000 65.5854 30.7883 30.7877 Takeda-Shitaka M03 0.0063 -0.9032 incorrect 68/ 92 0.0000 1.0000 67.7584 25.7497 25.7759 S.Fernandez-Recio M06 0.0063 -0.9043 incorrect 31/ 92 0.0000 1.0000 70.0442 22.7644 22.8456 S.Moal M06 0.0063 -0.9067 incorrect 62/ 92 0.0000 1.0000 68.5863 24.8625 24.9791 LZERD M08 0.0063 -0.9067 incorrect 0/ 92 0.0000 nan 65.0948 33.6195 34.7413 S.Moal M05 0.0062 -0.9073 incorrect 66/ 92 0.0000 1.0000 68.6213 24.8843 25.0007 S.Moal M02 0.0062 -0.9084 incorrect 66/ 92 0.0000 1.0000 68.7165 24.8765 25.0006 Zou M09 0.0062 -0.9106 incorrect 16/ 92 0.0000 1.0000 65.2466 34.1263 33.6298 S.Grudinin M08 0.0061 -0.9157 incorrect 41/ 92 0.0000 1.0000 65.5801 34.2234 33.7250 S.Fernandez-Recio M10 0.0061 -0.9194 incorrect 5/ 92 0.0000 1.0000 66.6228 31.2700 31.3290 GRAMM-X M07 0.0060 -0.9292 incorrect 15/ 92 0.0000 1.0000 68.2251 28.9052 29.2815 Takeda-Shitaka M08 0.0060 -0.9301 incorrect 85/ 92 0.0000 1.0000 69.5750 26.3356 26.2813 Wallner M01 0.0059 -0.9332 incorrect 1/ 92 0.0000 1.0000 67.9732 30.3649 30.0456 Kihara M06 0.0059 -0.9344 incorrect 6/ 92 0.0000 1.0000 68.7700 28.6043 29.5611 Kihara M09 0.0059 -0.9345 incorrect 2/ 92 0.0000 1.0000 68.9864 28.1459 28.4916 Kihara M02 0.0059 -0.9345 incorrect 5/ 92 0.0000 1.0000 68.7765 28.6061 29.4828 Kihara M01 0.0059 -0.9345 incorrect 4/ 92 0.0000 1.0000 68.7792 28.6074 29.6048 S.Fernandez-Recio M04 0.0059 -0.9390 incorrect 31/ 92 0.0000 1.0000 70.5884 25.9290 26.1626 Zou M03 0.0059 -0.9412 incorrect 6/ 92 0.0000 1.0000 69.2174 28.8404 29.0849 S.Grudinin M09 0.0058 -0.9429 incorrect 4/ 92 0.0000 1.0000 69.3309 28.9021 29.1543 Takeda-Shitaka M06 0.0057 -0.9540 incorrect 30/ 92 0.0000 1.0000 70.7550 27.9054 28.0053 Takeda-Shitaka M01 0.0056 -0.9593 incorrect 32/ 92 0.0000 1.0000 71.1409 28.0691 28.1016 LZERD M01 0.0056 -0.9652 incorrect 4/ 92 0.0000 1.0000 72.4329 26.7423 27.3639 Huang M04 0.0055 -0.9710 incorrect 0/ 92 0.0000 nan 72.7708 27.0844 27.3408 LZERD M05 0.0055 -0.9735 incorrect 12/ 92 0.0000 1.0000 70.8984 31.5120 32.6358 Guerois M09 0.0054 -0.9785 incorrect 24/ 92 0.0000 1.0000 70.4428 34.3448 34.0964 LZERD M04 0.0054 -0.9808 incorrect 8/ 92 0.0000 1.0000 73.3896 27.6314 28.1520 GRAMM-X M08 0.0051 -1.0067 incorrect 17/ 92 0.0000 1.0000 76.7807 26.6131 27.1203 LZERD M06 0.0051 -1.0076 incorrect 0/ 92 0.0000 nan 72.2432 37.5899 38.9011 S.Fernandez-Recio M01 0.0047 -1.0370 incorrect 28/ 92 0.0000 1.0000 79.9005 27.2081 27.0961 Iwadate M01 0.0047 -1.0404 incorrect 0/ 92 0.0000 nan 76.4158 34.5294 34.7795 Iwadate M02 0.0038 -1.1187 incorrect 0/ 92 0.0000 1.0000 91.7511 27.9563 27.9625 Kihara M04 0.0033 -1.1645 incorrect 5/ 92 0.0000 1.0000 95.5276 34.0938 34.0129 Kihara M03 0.0033 -1.1646 incorrect 8/ 92 0.0000 1.0000 95.5322 34.0984 34.0835 Kihara M07 0.0033 -1.1647 incorrect 8/ 92 0.0000 1.0000 95.5421 34.1081 34.0239

Target: T117.6

Group Model DockQ Zscore Classification nclash fnat fnonnat lrmsd irmsdbb irmsdsc S.Kihara M07 0.2943 2.1530 incorrect 29/ 81 0.7042 0.4083 27.6721 4.7027 4.9347 S.Zou M04 0.2886 2.0939 incorrect 29/ 81 0.8110 0.2077 42.3585 11.7062 11.8889 S.Venclovas M01 0.2872 2.0789 incorrect 57/ 81 0.6831 0.3861 27.6575 4.7073 4.8179 S.Venclovas M04 0.2872 2.0789 incorrect 57/ 81 0.6831 0.3861 27.6578 4.7074 4.8180 S.Zou M05 0.2870 2.0772 incorrect 32/ 81 0.8110 0.2797 46.1652 11.3056 11.8029 S.Gray M10 0.2803 2.0063 incorrect 28/ 81 0.6617 0.3333 27.2507 4.7566 4.9836 S.Gray M09 0.2777 1.9789 incorrect 26/ 81 0.6541 0.3741 26.8527 4.8344 5.0908 S.Seok M09 0.2698 1.8961 incorrect 26/ 81 0.6127 0.5297 26.5702 4.4078 4.9513 Eisenstein M06 0.2641 1.8369 incorrect 29/ 81 0.7324 0.3882 46.0239 9.0029 8.9466 Guerois M06 0.2599 1.7929 incorrect 35/ 81 0.6901 0.5266 34.7310 8.0954 8.2475 Guerois M02 0.2585 1.7782 incorrect 26/ 81 0.7324 0.3988 50.6392 11.8359 12.2260 S.Kihara M06 0.2579 1.7714 incorrect 46/ 81 0.7183 0.6194 47.5927 9.4752 9.6048 Eisenstein M03 0.2578 1.7703 incorrect 36/ 81 0.7394 0.4928 61.0000 12.1916 12.3292 Eisenstein M01 0.2576 1.7679 incorrect 31/ 81 0.7324 0.4409 60.9363 10.1946 9.8473 Eisenstein M04 0.2576 1.7679 incorrect 32/ 81 0.7324 0.4497 60.9383 10.1957 9.8451 Guerois M01 0.2557 1.7489 incorrect 29/ 81 0.6620 0.5204 31.3039 7.7013 8.3844 S.Seok M07 0.2556 1.7471 incorrect 25/ 81 0.5775 0.5419 26.6049 4.5876 5.1439 S.Bonvin M01 0.2555 1.7468 incorrect 77/ 81 0.7113 0.6327 47.5933 9.4826 9.5579 Eisenstein M05 0.2552 1.7435 incorrect 33/ 81 0.7254 0.4402 60.9326 10.1957 9.8464 S.Huang M10 0.2538 1.7283 incorrect 54/ 81 0.7042 0.5798 46.8444 9.3188 9.2614 Eisenstein M10 0.2526 1.7158 incorrect 24/ 81 0.7254 0.3720 62.4272 12.5126 12.7291 Eisenstein M07 0.2522 1.7116 incorrect 66/ 81 0.7324 0.5556 75.2371 13.8738 13.4388 Eisenstein M08 0.2514 1.7031 incorrect 30/ 81 0.7254 0.4341 66.3766 13.2815 13.4784 Eisenstein M09 0.2506 1.6950 incorrect 28/ 81 0.7324 0.4124 79.3217 16.6454 16.5401 Eisenstein M02 0.2496 1.6846 incorrect 38/ 81 0.7254 0.4745 70.5024 15.6299 15.4765 S.Moal M04 0.2488 1.6764 incorrect 67/ 81 0.7183 0.5968 68.9120 12.9553 12.9064 S.Moal M02 0.2488 1.6762 incorrect 66/ 81 0.7183 0.6000 68.9661 12.9798 12.9238 S.Moal M05 0.2465 1.6520 incorrect 66/ 81 0.7113 0.6085 68.8606 12.9658 12.9106 S.Venclovas M03 0.2465 1.6515 incorrect 81/ 81 0.6761 0.5200 48.4763 8.0611 7.9975 S.Venclovas M06 0.2465 1.6515 incorrect 81/ 81 0.6761 0.5200 48.4812 8.0620 7.9985 S.Venclovas M09 0.2465 1.6515 incorrect 81/ 81 0.6761 0.5200 48.4767 8.0630 7.9990 S.Venclovas M08 0.2465 1.6514 incorrect 81/ 81 0.6761 0.5200 48.4841 8.0637 8.0000 S.Venclovas M07 0.2465 1.6514 incorrect 81/ 81 0.6761 0.5200 48.4841 8.0637 8.0000 S.Venclovas M05 0.2465 1.6514 incorrect 81/ 81 0.6761 0.5200 48.4841 8.0637 8.0000 S.Venclovas M02 0.2465 1.6514 incorrect 81/ 81 0.6761 0.5200 48.4841 8.0637 8.0000 Seok M02 0.2462 1.6490 incorrect 23/ 81 0.5282 0.5455 25.9733 4.1873 4.8085 Zou M05 0.2459 1.6456 incorrect 38/ 81 0.7021 0.4530 56.0713 13.0016 13.2847 S.Zou M01 0.2459 1.6456 incorrect 38/ 81 0.7021 0.4530 56.0713 13.0016 13.2847 S.Weng M01 0.2459 1.6456 incorrect 19/ 81 0.7021 0.4310 56.0713 13.0016 13.2832 S.Huang M01 0.2459 1.6456 incorrect 38/ 81 0.7021 0.4530 56.0713 13.0016 13.2848 S.Gray M03 0.2448 1.6340 incorrect 28/ 81 0.6692 0.4472 47.3940 7.9944 8.0181 S.Seok M10 0.2446 1.6318 incorrect 24/ 81 0.5704 0.5150 27.5602 5.2119 5.5401 Guerois M09 0.2443 1.6289 incorrect 24/ 81 0.7042 0.3103 67.8246 12.9354 12.8607 S.Moal M06 0.2442 1.6273 incorrect 62/ 81 0.7042 0.6078 68.8726 12.9333 12.8989 Guerois M05 0.2431 1.6166 incorrect 25/ 81 0.6761 0.5176 50.2071 9.2854 9.6289 Seok M04 0.2428 1.6134 incorrect 23/ 81 0.5141 0.5521 26.6133 4.0275 4.7011 S.Gray M02 0.2424 1.6086 incorrect 26/ 81 0.6541 0.4942 45.5552 7.4089 7.4330 Seok M03 0.2421 1.6062 incorrect 27/ 81 0.5352 0.5632 26.4186 4.5655 5.1637 Guerois M08 0.2407 1.5910 incorrect 32/ 81 0.6549 0.5255 47.9924 7.6761 7.9148 Guerois M03 0.2407 1.5907 incorrect 30/ 81 0.6549 0.5957 43.2438 8.5431 8.9521 S.Grudinin M03 0.2388 1.5715 incorrect 31/ 81 0.6809 0.4451 56.1067 12.9809 13.2642 S.Gray M01 0.2387 1.5704 incorrect 33/ 81 0.6466 0.5635 45.6851 7.7467 7.7230 Seok M08 0.2386 1.5686 incorrect 35/ 81 0.5282 0.6575 27.3343 4.5178 5.1479 Seok M06 0.2384 1.5671 incorrect 27/ 81 0.5493 0.5329 28.2766 4.9830 5.4996 Moal M01 0.2379 1.5617 incorrect 73/ 81 0.6901 0.6487 77.2175 13.8189 13.2846 S.SWARMDOCK M08 0.2379 1.5615 incorrect 60/ 81 0.6901 0.6126 77.4937 13.8090 13.4356 S.Huang M05 0.2378 1.5611 incorrect 56/ 81 0.6901 0.5984 77.6202 13.8548 13.4836 S.Grudinin M02 0.2375 1.5579 incorrect 24/ 81 0.6667 0.3691 49.3707 11.3651 11.5128 S.Huang M06 0.2371 1.5535 incorrect 53/ 81 0.6831 0.5941 68.8390 12.9544 12.9139 S.Chang M06 0.2371 1.5535 incorrect 59/ 81 0.6831 0.6041 68.8390 12.9544 12.9139 S.Gray M05 0.2340 1.5204 incorrect 23/ 81 0.6316 0.5692 45.5772 7.6880 7.6996 Zou M06 0.2329 1.5096 incorrect 30/ 81 0.6738 0.4920 64.0819 16.9967 17.1812 Zou M01 0.2328 1.5083 incorrect 28/ 81 0.6525 0.3867 49.3572 11.3614 11.5153 Guerois M04 0.2321 1.5005 incorrect 30/ 81 0.6620 0.5545 61.8935 11.8794 11.9844 Seok M09 0.2308 1.4874 incorrect 33/ 81 0.5352 0.5706 29.2322 5.1114 5.5810 S.Gray M04 0.2307 1.4866 incorrect 32/ 81 0.6165 0.5287 43.3291 7.4791 7.6400 Seok M01 0.2302 1.4810 incorrect 30/ 81 0.5211 0.6337 28.0197 4.9132 5.5198 Zou M03 0.2299 1.4783 incorrect 33/ 81 0.6738 0.4477 82.2413 20.2086 19.6662 Guerois M07 0.2284 1.4617 incorrect 27/ 81 0.6408 0.5495 54.2864 10.3989 10.4940 S.Gray M07 0.2279 1.4569 incorrect 23/ 81 0.6165 0.5060 46.4989 7.8876 7.9628 S.Weng M06 0.2262 1.4386 incorrect 30/ 81 0.6549 0.6353 77.2175 13.8189 13.3932 S.Grudinin M09 0.2252 1.4287 incorrect 32/ 81 0.6596 0.4294 82.2312 20.1792 19.6446 S.Fernandez-Recio M05 0.2233 1.4088 incorrect 26/ 81 0.6479 0.6000 79.7463 14.3240 14.1938 S.Grudinin M05 0.2226 1.4009 incorrect 40/ 81 0.6383 0.5588 62.6753 13.9951 14.0822 Vakser M04 0.2204 1.3783 incorrect 53/ 81 0.6408 0.6553 77.4444 16.1302 15.8466 Zou M08 0.2178 1.3512 incorrect 36/ 81 0.6241 0.5644 62.6730 13.9994 14.0808 S.Chang M10 0.2178 1.3512 incorrect 36/ 81 0.6241 0.5644 62.6730 13.9994 14.0808 Seok M07 0.2170 1.3425 incorrect 29/ 81 0.4648 0.6292 26.9974 4.6015 5.2966 S.Seok M05 0.2136 1.3068 incorrect 30/ 81 0.5704 0.5500 45.7098 7.6511 7.8384 Zou M02 0.2131 1.3020 incorrect 34/ 81 0.6028 0.4848 54.3005 13.2132 13.1191 S.Zou M02 0.2131 1.3020 incorrect 34/ 81 0.6028 0.4848 54.3005 13.2132 13.1191 Venclovas M03 0.2121 1.2915 clashes,incorrect 89/ 81 0.6142 0.4307 73.2913 15.7715 15.5560 S.Fernandez-Recio M01 0.2114 1.2837 incorrect 39/ 81 0.6127 0.6548 79.7626 14.7185 14.4465 S.Moal M03 0.2100 1.2688 incorrect 80/ 81 0.6028 0.6444 75.1805 12.3502 12.3625 Vakser M05 0.2095 1.2636 incorrect 72/ 81 0.5775 0.7567 50.7091 9.6402 9.3763 S.Seok M06 0.2088 1.2561 incorrect 31/ 81 0.5563 0.6127 45.9375 7.6603 7.7389 S.Grudinin M01 0.2086 1.2539 incorrect 40/ 81 0.5887 0.4970 54.0699 13.1363 13.0554 S.Seok M08 0.2078 1.2464 incorrect 32/ 81 0.5563 0.6256 45.5333 8.0488 8.1491 S.Seok M04 0.2053 1.2199 incorrect 32/ 81 0.5493 0.5916 47.1878 7.8480 7.9430 S.Vakser M07 0.2053 1.2192 incorrect 76/ 81 0.5887 0.6453 75.2796 12.3687 12.3594 Seok M05 0.2050 1.2161 incorrect 30/ 81 0.4718 0.6794 30.4279 5.4377 5.9029 S.Weng M10 0.2030 1.1956 incorrect 38/ 81 0.5816 0.6858 65.4892 14.3057 14.2798 S.Vakser M03 0.2029 1.1944 incorrect 76/ 81 0.5816 0.6450 75.3043 12.3629 12.3464 S.Vakser M09 0.2029 1.1942 incorrect 76/ 81 0.5816 0.6450 75.3228 12.3808 12.3623 Moal M08 0.2029 1.1942 incorrect 76/ 81 0.5816 0.6450 75.3228 12.3808 12.3623 S.Vakser M02 0.2029 1.1942 incorrect 74/ 81 0.5816 0.6419 75.3485 12.3815 12.3398 Moal M05 0.2029 1.1942 incorrect 74/ 81 0.5816 0.6419 75.3485 12.3815 12.3399 Moal M09 0.2007 1.1713 incorrect 79/ 81 0.5745 0.6908 65.3860 14.2454 14.3701 Takeda-Shitaka M03 0.2006 1.1707 incorrect 68/ 81 0.5532 0.4730 51.2154 10.0237 9.9665 S.Vakser M05 0.2005 1.1695 incorrect 75/ 81 0.5745 0.6478 75.3405 12.3664 12.3756 Takeda-Shitaka M04 0.1987 1.1509 incorrect 45/ 81 0.5532 0.4179 51.7670 11.4802 11.5056 Takeda-Shitaka M08 0.1984 1.1467 clashes,incorrect 85/ 81 0.5493 0.5667 52.9981 10.3214 10.2884 Moal M04 0.1983 1.1463 clashes,incorrect 85/ 81 0.5674 0.6992 65.4260 14.2649 14.3995 Moal M07 0.1983 1.1463 clashes,incorrect 84/ 81 0.5674 0.7004 65.4382 14.2649 14.3980 S.Kihara M09 0.1978 1.1405 incorrect 56/ 81 0.5816 0.6372 96.6196 23.7215 22.8821 Seok M10 0.1974 1.1369 incorrect 34/ 81 0.5423 0.6368 45.5321 11.6675 12.1046 Takeda-Shitaka M10 0.1966 1.1287 clashes,incorrect 84/ 81 0.5493 0.5806 55.4096 11.2014 11.5158 S.Weng M03 0.1966 1.1285 incorrect 18/ 81 0.5532 0.5215 54.3005 13.2132 13.0779 Takeda-Shitaka M05 0.1937 1.0984 incorrect 80/ 81 0.5390 0.5556 54.2224 10.9988 11.1871 Takeda-Shitaka M01 0.1934 1.0944 incorrect 32/ 81 0.5390 0.4532 52.3766 11.9854 12.0141 Vakser M01 0.1924 1.0841 clashes,incorrect 108/ 81 0.5563 0.7620 76.2239 16.1272 15.8430 S.Fernandez-Recio M04 0.1849 1.0051 incorrect 31/ 81 0.5282 0.6637 69.5676 13.8071 13.8130 Takeda-Shitaka M09 0.1803 0.9574 incorrect 37/ 81 0.5000 0.5203 53.4486 11.6737 11.7429 S.Fernandez-Recio M06 0.1693 0.8422 incorrect 31/ 81 0.4965 0.7177 97.2286 23.9543 23.1841 Takeda-Shitaka M06 0.1689 0.8380 incorrect 30/ 81 0.4648 0.5182 51.8001 11.8492 11.9552 Weng M07 0.1524 0.6650 clashes,incorrect 93/ 81 0.3803 0.7049 38.4258 8.4738 9.1019 Shen M07 0.1517 0.6572 incorrect 33/ 81 0.4085 0.7467 47.5043 11.9329 12.2264 Weng M03 0.1501 0.6402 clashes,incorrect 95/ 81 0.3732 0.7039 38.4258 8.4738 9.1144 Shen M01 0.1494 0.6329 incorrect 23/ 81 0.4014 0.7233 47.4226 11.9088 12.2510 Shen M04 0.1471 0.6085 incorrect 24/ 81 0.3944 0.7544 47.3726 11.9221 12.2285 Shen M03 0.1470 0.6081 incorrect 25/ 81 0.3944 0.7477 47.4430 11.9357 12.2271 Weng M10 0.1454 0.5913 clashes,incorrect 90/ 81 0.3592 0.7151 38.4258 8.4738 9.1640 Weng M09 0.1454 0.5913 clashes,incorrect 92/ 81 0.3592 0.7102 38.4258 8.4738 9.1606 Weng M08 0.1454 0.5913 clashes,incorrect 89/ 81 0.3592 0.7167 38.4258 8.4738 9.1343 Weng M05 0.1454 0.5913 clashes,incorrect 93/ 81 0.3592 0.7119 38.4258 8.4738 9.1366 Weng M04 0.1454 0.5913 clashes,incorrect 93/ 81 0.3592 0.7182 38.4258 8.4738 9.1173 Weng M01 0.1454 0.5913 clashes,incorrect 96/ 81 0.3592 0.7119 38.4258 8.4738 9.1411 Shen M09 0.1446 0.5828 incorrect 26/ 81 0.3873 0.7534 47.4996 11.9586 12.2526 Shen M08 0.1446 0.5827 incorrect 24/ 81 0.3873 0.7609 47.5009 11.9694 12.2499 Shen M02 0.1445 0.5822 incorrect 19/ 81 0.3873 0.7406 47.6391 11.9589 12.2399 Weng M06 0.1430 0.5664 clashes,incorrect 90/ 81 0.3521 0.7207 38.4258 8.4738 9.1508 Shen M10 0.1422 0.5579 incorrect 26/ 81 0.3803 0.7611 47.5687 11.9765 12.2757 Weng M02 0.1407 0.5419 clashes,incorrect 92/ 81 0.3451 0.7200 38.4258 8.4738 9.1096 Chang M06 0.1395 0.5292 incorrect 21/ 81 0.3099 0.6106 30.9498 7.5007 8.0620 Chang M02 0.1395 0.5290 incorrect 21/ 81 0.3099 0.6106 30.9592 7.5017 8.0589 Chang M01 0.1371 0.5042 incorrect 22/ 81 0.3028 0.6161 30.9596 7.5022 8.0606 S.Grudinin M06 0.1295 0.4239 incorrect 23/ 81 0.3333 0.5948 41.9012 11.9350 12.3027 S.Grudinin M08 0.1293 0.4225 incorrect 41/ 81 0.3404 0.5752 47.6202 11.5101 12.1781 Zou M10 0.1272 0.4004 incorrect 19/ 81 0.3262 0.6034 41.7632 11.8854 12.2533 S.Oliva M07 0.1272 0.4004 incorrect 19/ 81 0.3262 0.6034 41.7632 11.8854 12.2533 Grudinin M02 0.1266 0.3943 incorrect 24/ 81 0.3028 0.6692 38.4174 8.4658 9.0183 Zou M09 0.1226 0.3518 incorrect 16/ 81 0.3191 0.6018 47.0277 11.3936 12.0551 Chang M03 0.1114 0.2344 incorrect 27/ 81 0.1620 0.8736 26.6170 5.0988 5.8236 Grudinin M01 0.1087 0.2062 incorrect 11/ 81 0.2676 0.6200 43.7941 9.9459 10.3774 Chang M04 0.1024 0.1399 incorrect 34/ 81 0.1338 0.9031 26.5447 5.0737 5.7962 S.Bonvin M08 0.0829 -0.0650 incorrect 10/ 81 0.1761 0.6269 37.5745 9.6029 10.0173 CLUSPRO M02 0.0772 -0.1241 clashes,incorrect 93/ 81 0.1811 0.7965 50.6586 9.7280 9.7657 Vajda,Kozakov M02 0.0772 -0.1241 clashes,incorrect 93/ 81 0.1811 0.7965 50.6587 9.7280 9.7657 S.Bonvin M09 0.0755 -0.1427 incorrect 5/ 81 0.1127 0.7377 30.0562 7.3862 7.8240 Vajda,Kozakov M09 0.0746 -0.1517 clashes,incorrect 94/ 81 0.1732 0.8036 50.6586 9.7280 9.7672 CLUSPRO M09 0.0746 -0.1517 clashes,incorrect 94/ 81 0.1732 0.8036 50.6586 9.7280 9.7672 S.Kihara M05 0.0734 -0.1647 incorrect 12/ 81 0.0986 0.8557 30.4162 6.6048 6.9985 Vajda,Kozakov M01 0.0722 -0.1768 incorrect 43/ 81 0.1654 0.8073 50.5248 9.6289 9.6980 CLUSPRO M01 0.0722 -0.1768 incorrect 43/ 81 0.1654 0.8073 50.5248 9.6289 9.6980 HADDOCK M06 0.0716 -0.1830 incorrect 10/ 81 0.0915 0.8617 29.8822 6.6449 7.0791 HADDOCK M05 0.0670 -0.2317 incorrect 11/ 81 0.0775 0.8842 30.1001 6.5676 7.0220 S.Bonvin M10 0.0670 -0.2317 incorrect 11/ 81 0.0775 0.8830 30.1009 6.5683 7.0235 HADDOCK M08 0.0663 -0.2384 incorrect 6/ 81 0.0775 0.8842 30.3996 6.6076 7.0576 HADDOCK M10 0.0653 -0.2490 incorrect 5/ 81 0.0915 0.8602 33.0171 7.1358 7.5801 HADDOCK M07 0.0643 -0.2599 incorrect 9/ 81 0.1056 0.8276 35.3574 8.1675 8.6675 Vajda,Kozakov M06 0.0643 -0.2602 incorrect 45/ 81 0.1417 0.8144 50.5727 9.6476 9.7092 CLUSPRO M06 0.0643 -0.2602 incorrect 45/ 81 0.1417 0.8144 50.5727 9.6476 9.7092 Vajda,Kozakov M05 0.0642 -0.2607 incorrect 43/ 81 0.1417 0.8144 50.6575 9.6558 9.6972 CLUSPRO M05 0.0642 -0.2607 incorrect 43/ 81 0.1417 0.8144 50.6575 9.6558 9.6972 Vajda,Kozakov M08 0.0642 -0.2609 incorrect 44/ 81 0.1417 0.8163 50.6440 9.6728 9.7209 CLUSPRO M08 0.0642 -0.2609 incorrect 44/ 81 0.1417 0.8163 50.6440 9.6728 9.7209 Vajda,Kozakov M03 0.0616 -0.2880 incorrect 44/ 81 0.1339 0.8265 50.6435 9.6646 9.7220 CLUSPRO M03 0.0616 -0.2880 incorrect 44/ 81 0.1339 0.8265 50.6435 9.6646 9.7220 S.Oliva M10 0.0607 -0.2978 low_id,incorrect 48/ 81 0.0588 0.9836 30.9039 6.3464 6.2668 HADDOCK M04 0.0595 -0.3106 incorrect 8/ 81 0.0915 0.8452 35.4326 8.1893 8.6479 Grudinin M03 0.0584 -0.3217 incorrect 18/ 81 0.0775 0.8750 31.2873 8.6837 9.1990 HADDOCK M02 0.0537 -0.3709 incorrect 8/ 81 0.0986 0.8511 42.0967 9.6972 10.1177 S.Bonvin M07 0.0530 -0.3782 incorrect 5/ 81 0.0845 0.8737 38.6210 8.7822 9.2556 Gray M10 0.0526 -0.3826 incorrect 2/ 81 0.0000 1.0000 23.0073 7.5798 8.3004 HADDOCK M03 0.0516 -0.3926 incorrect 6/ 81 0.0704 0.8837 35.9335 8.3136 8.7753 Zacharias M07 0.0515 -0.3938 incorrect 4/ 81 0.0323 0.9706 29.9034 6.7144 7.1748 HADDOCK M01 0.0502 -0.4079 incorrect 9/ 81 0.0915 0.8660 43.5032 9.9374 10.3662 S.Bonvin M06 0.0489 -0.4213 incorrect 8/ 81 0.0845 0.8723 42.4571 9.6320 10.0320 S.Fernandez-Recio M07 0.0477 -0.4343 incorrect 3/ 81 0.0070 0.9833 33.3792 5.2639 5.4974 S.Zou M09 0.0453 -0.4589 incorrect 9/ 81 0.0000 1.0000 34.3994 5.1417 5.3637 Moal M06 0.0453 -0.4589 incorrect 9/ 81 0.0000 1.0000 34.3995 5.1417 5.3637 Wallner M07 0.0444 -0.4687 incorrect 3/ 81 0.0000 1.0000 27.6229 6.7796 7.4993 S.LZERD M01 0.0427 -0.4864 incorrect 3/ 81 0.0000 1.0000 25.8809 8.4242 9.2327 S.LZERD M03 0.0427 -0.4866 incorrect 3/ 81 0.0000 1.0000 26.4250 7.9624 8.6927 S.LZERD M02 0.0424 -0.4899 incorrect 1/ 81 0.0000 1.0000 25.9425 8.5076 9.2882 Zacharias M09 0.0423 -0.4905 incorrect 2/ 81 0.0645 0.8571 48.5856 8.1520 8.4726 S.LZERD M04 0.0419 -0.4949 incorrect 5/ 81 0.0000 1.0000 26.0011 8.6625 9.4751 S.Seok M01 0.0414 -0.4999 incorrect 4/ 81 0.0000 1.0000 26.3034 8.5760 9.4028 Fernandez-Recio M05 0.0393 -0.5222 incorrect 2/ 81 0.0000 1.0000 31.5212 6.5325 7.2170 Grudinin M06 0.0388 -0.5273 incorrect 1/ 81 0.0915 0.8243 64.0758 17.1056 16.9965 S.Kihara M01 0.0386 -0.5294 incorrect 5/ 81 0.0000 1.0000 40.0965 5.3534 5.8529 S.LZERD M05 0.0383 -0.5324 incorrect 1/ 81 0.0000 1.0000 27.7410 8.6618 9.3552 Zacharias M10 0.0364 -0.5523 incorrect 0/ 81 0.0000 1.0000 29.8951 7.9405 8.4678 S.Zou M08 0.0351 -0.5665 incorrect 12/ 81 0.0000 1.0000 42.7347 5.5904 5.8222 Chang M08 0.0350 -0.5667 incorrect 13/ 81 0.0000 1.0000 44.3113 5.4818 5.6981 Chang M10 0.0350 -0.5667 incorrect 13/ 81 0.0000 1.0000 44.3216 5.4818 5.6986 S.Grudinin M04 0.0343 -0.5750 incorrect 4/ 81 0.0071 0.9846 40.3878 6.3246 6.4681 Zacharias M04 0.0341 -0.5765 incorrect 5/ 81 0.0323 0.9744 41.8980 8.4545 8.6987 S.Oliva M03 0.0341 -0.5771 low_id,incorrect 8/ 81 0.0000 1.0000 29.4687 9.3007 9.8274 Zacharias M03 0.0340 -0.5778 incorrect 1/ 81 0.0000 1.0000 39.8010 6.0254 6.3469 S.Oliva M02 0.0340 -0.5780 low_id,incorrect 52/ 81 0.0000 1.0000 44.5248 5.6088 5.8133 Zou M07 0.0338 -0.5800 incorrect 6/ 81 0.0071 0.9857 40.5987 6.3893 6.5165 S.Zou M07 0.0338 -0.5800 incorrect 6/ 81 0.0071 0.9857 40.5987 6.3893 6.5165 Ritchie M01 0.0335 -0.5831 incorrect 0/ 81 0.0000 nan 29.2313 9.8853 10.5402 Zacharias M02 0.0326 -0.5922 incorrect 9/ 81 0.0645 0.9556 59.8272 12.7826 12.8583 Grudinin M04 0.0322 -0.5967 incorrect 3/ 81 0.0704 0.8333 65.9085 15.0616 15.2626 SWARMDOCK M05 0.0320 -0.5986 incorrect 2/ 81 0.0000 1.0000 34.1731 7.5727 8.1660 Grudinin M08 0.0311 -0.6082 incorrect 5/ 81 0.0493 0.9014 48.2131 12.6660 12.9800 Zou M04 0.0309 -0.6099 incorrect 9/ 81 0.0000 1.0000 47.0647 5.8747 6.2877 S.Grudinin M07 0.0304 -0.6159 incorrect 5/ 81 0.0000 1.0000 47.1375 5.9597 6.3879 S.SWARMDOCK M03 0.0299 -0.6210 incorrect 44/ 81 0.0211 0.9727 47.6727 7.5785 7.4706 S.Fernandez-Recio M09 0.0294 -0.6259 incorrect 2/ 81 0.0000 1.0000 40.9318 6.7635 7.0242 Zacharias M05 0.0290 -0.6304 incorrect 6/ 81 0.0000 1.0000 34.3235 8.6579 8.8942 Fernandez-Recio M01 0.0286 -0.6339 incorrect 3/ 81 0.0000 1.0000 35.4484 8.3101 8.4384 Chang M07 0.0278 -0.6427 incorrect 4/ 81 0.0000 1.0000 47.4494 6.3835 6.6562 Chang M05 0.0278 -0.6428 incorrect 5/ 81 0.0000 1.0000 47.4400 6.3860 6.6520 Shen M06 0.0275 -0.6459 incorrect 0/ 81 0.0000 nan 32.8949 10.5251 10.6325 S.SWARMDOCK M06 0.0267 -0.6546 incorrect 21/ 81 0.0000 1.0000 41.9018 7.3013 7.5545 S.Huang M08 0.0255 -0.6665 incorrect 10/ 81 0.0142 0.9643 56.6546 7.3111 7.5393 S.Weng M05 0.0255 -0.6665 incorrect 6/ 81 0.0142 0.9615 56.6547 7.3111 7.4580 S.Vakser M08 0.0255 -0.6665 incorrect 10/ 81 0.0142 0.9643 56.6547 7.3111 7.5394 Moal M03 0.0255 -0.6665 incorrect 10/ 81 0.0142 0.9643 56.6547 7.3111 7.5394 Fernandez-Recio M04 0.0255 -0.6666 incorrect 1/ 81 0.0000 1.0000 42.4432 7.5451 8.1481 S.LZERD M10 0.0246 -0.6765 incorrect 2/ 81 0.0000 1.0000 36.6546 9.8402 10.5249 Vajda,Kozakov M07 0.0243 -0.6797 incorrect 2/ 81 0.0000 1.0000 41.2657 8.2327 8.4860 CLUSPRO M07 0.0243 -0.6797 incorrect 2/ 81 0.0000 1.0000 41.2657 8.2327 8.4860 S.Kihara M08 0.0237 -0.6855 low_id,incorrect 39/ 81 0.0000 1.0000 37.9048 9.7113 9.9668 S.Bonvin M04 0.0237 -0.6856 low_id,incorrect 23/ 81 0.0000 1.0000 37.9121 9.7148 9.9360 DelCarpio M10 0.0235 -0.6878 incorrect 0/ 81 0.0000 nan 33.3265 15.3650 16.5129 Wallner M06 0.0235 -0.6879 incorrect 4/ 81 0.0000 1.0000 45.5760 7.6645 7.9805 S.Oliva M08 0.0227 -0.6968 low_id,clashes,incorrect 104/ 81 0.0000 1.0000 44.1085 8.2294 8.0986 GRAMM-X M06 0.0221 -0.7021 incorrect 41/ 81 0.0000 1.0000 44.0725 8.4471 8.6244 Ritchie M02 0.0221 -0.7028 incorrect 31/ 81 0.0000 1.0000 41.4261 9.2128 9.3355 S.Gray M06 0.0215 -0.7086 incorrect 4/ 81 0.0000 1.0000 41.0477 9.6761 9.7530 S.Gray M08 0.0212 -0.7119 incorrect 4/ 81 0.0000 1.0000 41.3289 9.7638 9.7986 GRAMM-X M02 0.0212 -0.7122 incorrect 35/ 81 0.0000 1.0000 46.6070 8.3372 8.1489 S.Oliva M05 0.0211 -0.7127 low_id,incorrect 9/ 81 0.0000 1.0000 41.0623 9.9296 10.1564 GRAMM-X M04 0.0209 -0.7156 incorrect 17/ 81 0.0000 1.0000 46.7928 8.4392 8.2808 LZERD M10 0.0208 -0.7161 incorrect 0/ 81 0.0000 nan 40.0033 10.7138 11.2915 LZERD M07 0.0206 -0.7186 incorrect 9/ 81 0.0000 1.0000 43.1370 9.4971 9.7184 Shen M05 0.0203 -0.7213 incorrect 0/ 81 0.0000 nan 38.6641 12.2184 12.5505 Vajda,Kozakov M04 0.0201 -0.7239 incorrect 5/ 81 0.0000 1.0000 47.3074 8.6924 8.9000 CLUSPRO M04 0.0201 -0.7239 incorrect 5/ 81 0.0000 1.0000 47.3074 8.6924 8.9000 LZERD M09 0.0200 -0.7245 incorrect 0/ 81 0.0000 nan 41.2790 10.6800 11.3164 S.Grudinin M10 0.0199 -0.7254 incorrect 4/ 81 0.0000 1.0000 43.6512 9.7266 10.3614 S.Chang M05 0.0198 -0.7262 incorrect 13/ 81 0.0000 1.0000 48.0698 8.6474 9.0035 SWARMDOCK M03 0.0196 -0.7291 incorrect 4/ 81 0.0000 1.0000 44.0282 9.8221 10.3889 S.Bonvin M02 0.0195 -0.7301 low_id,incorrect 20/ 81 0.0000 1.0000 45.4301 9.4458 9.4426 S.Moal M01 0.0194 -0.7306 incorrect 6/ 81 0.0000 1.0000 45.9228 9.3366 9.5083 S.Kihara M03 0.0193 -0.7318 low_id,incorrect 21/ 81 0.0000 1.0000 41.9756 10.9093 11.3051 Wallner M05 0.0193 -0.7323 incorrect 2/ 81 0.0000 1.0000 43.6454 10.1813 10.4319 Fernandez-Recio M03 0.0187 -0.7382 incorrect 9/ 81 0.0000 1.0000 45.0428 10.0651 10.2949 HADDOCK M09 0.0187 -0.7385 incorrect 1/ 81 0.0000 1.0000 43.1992 10.8535 11.0305 SWARMDOCK M10 0.0186 -0.7391 incorrect 16/ 81 0.0000 1.0000 47.0800 9.5082 9.5162 SWARMDOCK M06 0.0186 -0.7391 incorrect 16/ 81 0.0000 1.0000 47.0800 9.5082 9.5162 Zacharias M01 0.0186 -0.7397 incorrect 7/ 81 0.0000 1.0000 46.5600 9.6865 10.0407 Chang M09 0.0182 -0.7440 incorrect 0/ 81 0.0000 1.0000 43.7258 11.0658 11.4763 S.SWARMDOCK M07 0.0181 -0.7449 incorrect 1/ 81 0.0000 1.0000 44.8616 10.6277 10.7845 S.SWARMDOCK M09 0.0179 -0.7462 incorrect 46/ 81 0.0000 1.0000 52.3960 8.8083 8.9348 Huang M07 0.0179 -0.7462 incorrect 46/ 81 0.0000 1.0000 52.3960 8.8083 8.9348 Huang M02 0.0179 -0.7462 incorrect 46/ 81 0.0000 1.0000 52.3960 8.8083 8.9348 S.Moal M07 0.0179 -0.7467 low_id,incorrect 7/ 81 0.0000 1.0000 46.9800 10.0028 10.1061 S.Huang M02 0.0179 -0.7468 incorrect 6/ 81 0.0000 1.0000 52.2986 8.8534 8.9599 S.Oliva M04 0.0178 -0.7475 low_id,incorrect 79/ 81 0.0000 1.0000 46.9749 10.0610 10.1592 Zacharias M08 0.0176 -0.7493 incorrect 0/ 81 0.0000 1.0000 49.3805 9.5330 9.9662 Vakser M07 0.0175 -0.7503 incorrect 52/ 81 0.0000 1.0000 46.7288 10.3390 10.3541 DelCarpio M01 0.0175 -0.7507 incorrect 59/ 81 0.0141 0.9878 46.0542 20.1546 21.2776 Wallner M02 0.0173 -0.7531 incorrect 5/ 81 0.0000 1.0000 51.2149 9.3613 9.2656 Vakser M06 0.0170 -0.7564 incorrect 47/ 81 0.0000 1.0000 50.7362 9.6443 9.3758 SWARMDOCK M08 0.0169 -0.7574 incorrect 0/ 81 0.0000 nan 43.3284 12.7960 13.0154 SWARMDOCK M01 0.0168 -0.7584 incorrect 11/ 81 0.0000 1.0000 54.9734 9.0049 9.0520 S.SWARMDOCK M10 0.0168 -0.7586 incorrect 30/ 81 0.0000 1.0000 54.7226 9.0517 9.2244 Vakser M10 0.0167 -0.7594 incorrect 52/ 81 0.0070 0.9964 53.2781 11.0121 11.2340 SWARMDOCK M02 0.0165 -0.7618 incorrect 3/ 81 0.0000 1.0000 51.4359 9.8233 10.0485 Guerois M10 0.0163 -0.7638 incorrect 21/ 81 0.0000 1.0000 52.1982 9.7876 9.7646 Grudinin M10 0.0160 -0.7669 incorrect 7/ 81 0.0000 1.0000 51.4897 10.1461 10.5622 Fernandez-Recio M06 0.0159 -0.7672 incorrect 0/ 81 0.0000 nan 43.4721 14.2269 14.7381 Takeda-Shitaka M02 0.0158 -0.7683 incorrect 0/ 81 0.0000 1.0000 47.8375 11.4382 11.4918 Gray M08 0.0156 -0.7711 incorrect 1/ 81 0.0000 1.0000 52.3859 10.2322 10.5106 Takeda-Shitaka M07 0.0155 -0.7714 incorrect 1/ 81 0.0000 1.0000 48.3246 11.5419 11.5965 S.Chang M07 0.0155 -0.7721 incorrect 4/ 81 0.0000 1.0000 52.6663 10.2310 10.0267 Moal M02 0.0155 -0.7721 incorrect 4/ 81 0.0000 1.0000 52.6663 10.2310 10.0268 S.Moal M09 0.0155 -0.7723 incorrect 4/ 81 0.0000 1.0000 52.6979 10.2375 10.0365 Kihara M05 0.0153 -0.7740 incorrect 5/ 81 0.0000 1.0000 52.2760 10.4707 10.8102 S.Seok M03 0.0152 -0.7745 incorrect 19/ 81 0.0000 1.0000 52.5472 10.4402 10.8372 S.Zou M10 0.0150 -0.7771 incorrect 31/ 81 0.0000 1.0000 56.9241 9.7359 9.2445 Grudinin M05 0.0149 -0.7783 incorrect 12/ 81 0.0070 0.9898 61.0496 10.8874 11.3246 Vajda,Kozakov M10 0.0148 -0.7789 incorrect 4/ 81 0.0000 1.0000 50.5604 11.4083 11.3477 CLUSPRO M10 0.0148 -0.7789 incorrect 4/ 81 0.0000 1.0000 50.5604 11.4083 11.3477 S.Moal M08 0.0147 -0.7801 low_id,incorrect 16/ 81 0.0000 1.0000 49.9648 11.7651 11.8165 S.Fernandez-Recio M02 0.0147 -0.7806 incorrect 4/ 81 0.0000 1.0000 53.6285 10.6391 10.4840 S.Vakser M04 0.0145 -0.7819 low_id,incorrect 49/ 81 0.0000 1.0000 55.8794 10.2388 10.0691 S.Oliva M09 0.0145 -0.7821 low_id,clashes,incorrect 111/ 81 0.0000 1.0000 58.7080 9.7727 9.2791 Ritchie M08 0.0145 -0.7824 incorrect 35/ 81 0.0000 1.0000 51.7555 11.3310 11.2646 S.Huang M09 0.0144 -0.7833 incorrect 9/ 81 0.0000 1.0000 54.1331 10.7318 10.7412 Wallner M01 0.0144 -0.7835 incorrect 1/ 81 0.0000 1.0000 52.2199 11.2880 11.3186 Ritchie M04 0.0143 -0.7840 incorrect 21/ 81 0.0000 1.0000 58.1989 9.9682 9.7295 S.Vakser M06 0.0143 -0.7840 low_id,incorrect 62/ 81 0.0000 1.0000 52.6086 11.2146 11.4778 Ritchie M09 0.0143 -0.7843 incorrect 28/ 81 0.0000 1.0000 60.0189 9.7187 9.5329 Wallner M03 0.0143 -0.7845 incorrect 4/ 81 0.0000 1.0000 54.0701 10.8495 10.7376 DelCarpio M02 0.0143 -0.7846 incorrect 25/ 81 0.0141 0.9811 56.7229 18.1351 19.5606 Vakser M08 0.0142 -0.7851 incorrect 79/ 81 0.0000 1.0000 53.8761 10.9488 10.9289 SWARMDOCK M07 0.0142 -0.7855 incorrect 28/ 81 0.0000 1.0000 51.4503 11.7517 11.9153 S.SWARMDOCK M05 0.0142 -0.7855 incorrect 28/ 81 0.0000 1.0000 51.4503 11.7517 11.9153 S.Chang M04 0.0142 -0.7856 incorrect 10/ 81 0.0000 1.0000 59.6450 9.8542 9.8047 Ritchie M03 0.0142 -0.7859 incorrect 19/ 81 0.0000 1.0000 52.1617 11.5442 11.6782 S.Fernandez-Recio M08 0.0141 -0.7868 incorrect 13/ 81 0.0000 1.0000 56.7510 10.4256 10.3871 S.Weng M02 0.0139 -0.7882 incorrect 14/ 81 0.0000 1.0000 64.9273 9.3746 9.2698 S.Vakser M01 0.0139 -0.7882 incorrect 28/ 81 0.0000 1.0000 64.9273 9.3746 9.3107 S.Huang M07 0.0139 -0.7882 incorrect 28/ 81 0.0000 1.0000 64.9273 9.3746 9.3106 S.Chang M03 0.0139 -0.7882 incorrect 28/ 81 0.0000 1.0000 64.9273 9.3746 9.3107 S.Huang M04 0.0139 -0.7886 incorrect 18/ 81 0.0000 1.0000 56.9910 10.5154 10.4141 Moal M10 0.0139 -0.7886 incorrect 18/ 81 0.0000 1.0000 56.9910 10.5154 10.4141 S.Moal M10 0.0139 -0.7891 incorrect 24/ 81 0.0000 1.0000 57.0505 10.5393 10.4327 S.LZERD M08 0.0138 -0.7899 incorrect 11/ 81 0.0000 1.0000 54.8948 11.1088 11.4044 S.SWARMDOCK M01 0.0136 -0.7915 incorrect 13/ 81 0.0000 1.0000 52.1229 12.1665 12.5038 Gray M09 0.0135 -0.7923 incorrect 11/ 81 0.0000 1.0000 56.3377 10.9637 11.1939 S.Seok M02 0.0134 -0.7936 incorrect 12/ 81 0.0000 1.0000 55.9373 11.1712 11.5845 Ritchie M07 0.0134 -0.7939 incorrect 0/ 81 0.0000 1.0000 67.4848 9.4525 9.6545 SWARMDOCK M09 0.0134 -0.7940 incorrect 21/ 81 0.0000 1.0000 52.9154 12.1553 12.2994 LZERD M03 0.0133 -0.7951 incorrect 2/ 81 0.0000 1.0000 54.1287 11.8474 12.1938 SWARMDOCK M04 0.0131 -0.7966 incorrect 24/ 81 0.0000 1.0000 53.2490 12.3329 12.4652 GRAMM-X M05 0.0131 -0.7971 incorrect 31/ 81 0.0000 1.0000 56.8034 11.2784 11.3274 S.Weng M07 0.0131 -0.7974 incorrect 6/ 81 0.0000 1.0000 65.3820 9.8705 9.9320 S.Weng M04 0.0128 -0.8004 incorrect 24/ 81 0.0000 1.0000 59.1948 11.0397 10.9387 S.Huang M03 0.0128 -0.8004 incorrect 26/ 81 0.0000 1.0000 59.1948 11.0397 10.8379 S.Chang M01 0.0128 -0.8004 incorrect 29/ 81 0.0000 1.0000 59.1948 11.0397 10.8379 S.Bonvin M05 0.0127 -0.8015 incorrect 0/ 81 0.0000 1.0000 55.3868 12.1604 12.2420 Gray M01 0.0125 -0.8030 incorrect 8/ 81 0.0000 1.0000 58.1298 11.5257 11.7452 S.Fernandez-Recio M10 0.0125 -0.8036 incorrect 5/ 81 0.0000 1.0000 55.1407 12.4968 12.6949 DelCarpio M04 0.0124 -0.8040 incorrect 0/ 81 0.0000 nan 48.6064 17.1029 18.1660 DelCarpio M03 0.0124 -0.8041 incorrect 0/ 81 0.0000 nan 48.6364 17.1045 18.1673 Zacharias M06 0.0123 -0.8052 incorrect 4/ 81 0.0000 1.0000 56.6835 12.1760 12.3635 Gray M07 0.0122 -0.8063 incorrect 2/ 81 0.0000 1.0000 58.8466 11.6897 11.9284 S.Kihara M04 0.0122 -0.8064 incorrect 11/ 81 0.0000 1.0000 58.8528 11.6969 12.0380 S.LZERD M06 0.0122 -0.8064 incorrect 12/ 81 0.0000 1.0000 58.8565 11.7004 12.0226 S.Kihara M10 0.0122 -0.8065 incorrect 10/ 81 0.0000 1.0000 58.8616 11.7022 12.0173 Fernandez-Recio M09 0.0122 -0.8069 incorrect 0/ 81 0.0000 nan 51.3134 15.1070 15.6012 S.LZERD M07 0.0122 -0.8069 incorrect 11/ 81 0.0000 1.0000 58.9461 11.7293 12.0667 Wallner M09 0.0121 -0.8070 incorrect 0/ 81 0.0000 nan 52.2456 14.4618 14.8652 Gray M04 0.0121 -0.8072 incorrect 8/ 81 0.0000 1.0000 59.1115 11.7157 11.9413 Gray M03 0.0121 -0.8072 incorrect 3/ 81 0.0000 1.0000 59.1115 11.7157 11.9361 Gray M02 0.0120 -0.8084 incorrect 3/ 81 0.0000 1.0000 59.2542 11.8098 12.0111 Venclovas M04 0.0110 -0.8188 low_id,clashes,incorrect 122/ 81 0.0000 1.0000 69.0979 11.0260 11.3541 S.Zou M03 0.0110 -0.8192 incorrect 20/ 81 0.0000 1.0000 62.8402 12.1614 11.9283 DelCarpio M08 0.0108 -0.8206 incorrect 5/ 81 0.0000 1.0000 52.2169 18.2255 18.9342 Gray M05 0.0108 -0.8209 incorrect 2/ 81 0.0000 1.0000 63.0281 12.3214 12.5812 S.LZERD M09 0.0108 -0.8209 incorrect 10/ 81 0.0000 1.0000 60.4651 13.0265 13.2902 Gray M06 0.0108 -0.8209 incorrect 9/ 81 0.0000 1.0000 60.4624 13.0276 13.1844 Huang M09 0.0104 -0.8249 incorrect 8/ 81 0.0000 1.0000 61.3817 13.3246 13.2341 S.Oliva M06 0.0102 -0.8274 low_id,incorrect 16/ 81 0.0000 1.0000 56.6574 16.0980 16.2156 Fernandez-Recio M10 0.0101 -0.8288 incorrect 0/ 81 0.0000 nan 60.0995 14.4885 14.9836 S.Fernandez-Recio M03 0.0098 -0.8311 incorrect 2/ 81 0.0000 1.0000 67.9317 12.5281 12.8102 DelCarpio M06 0.0098 -0.8311 incorrect 9/ 81 0.0000 1.0000 59.2347 15.4268 17.1398 Wallner M04 0.0098 -0.8321 incorrect 0/ 81 0.0000 nan 68.9474 12.4536 12.6376 Huang M03 0.0098 -0.8321 incorrect 10/ 81 0.0000 1.0000 69.5452 12.3478 12.2927 Huang M01 0.0096 -0.8332 incorrect 15/ 81 0.0000 1.0000 69.8712 12.4308 12.3692 S.Weng M08 0.0094 -0.8357 incorrect 7/ 81 0.0000 1.0000 62.5264 14.8544 15.5539 S.Bonvin M03 0.0094 -0.8357 incorrect 9/ 81 0.0000 1.0000 62.5264 14.8544 15.4505 Kihara M08 0.0092 -0.8381 incorrect 0/ 81 0.0000 nan 58.0204 18.4955 18.9357 Fernandez-Recio M07 0.0084 -0.8461 incorrect 0/ 81 0.0000 nan 69.7358 14.4751 14.9793 Ritchie M10 0.0083 -0.8476 incorrect 6/ 81 0.0000 1.0000 72.8136 13.9748 14.0454 Ritchie M05 0.0082 -0.8482 incorrect 16/ 81 0.0000 1.0000 69.6085 14.9453 14.9042 Kihara M10 0.0082 -0.8485 incorrect 0/ 81 0.0000 nan 62.2678 18.8654 19.3768 Huang M08 0.0079 -0.8514 incorrect 0/ 81 0.0000 nan 69.8388 15.6199 15.7708 Huang M06 0.0079 -0.8518 incorrect 0/ 81 0.0000 nan 68.6830 16.1594 16.2857 Ritchie M06 0.0077 -0.8533 incorrect 0/ 81 0.0000 1.0000 77.3164 14.0545 13.9904 Kihara M02 0.0077 -0.8539 incorrect 0/ 81 0.0000 nan 63.4297 20.3694 20.5754 S.Vakser M10 0.0077 -0.8540 incorrect 8/ 81 0.0000 1.0000 65.5239 18.6201 18.9691 Grudinin M07 0.0076 -0.8548 incorrect 2/ 81 0.0000 1.0000 69.7085 16.5858 16.8623 Venclovas M05 0.0074 -0.8567 incorrect 63/ 81 0.0000 1.0000 73.2913 15.7715 15.5560 Wallner M08 0.0074 -0.8570 incorrect 6/ 81 0.0000 1.0000 75.9251 15.1080 15.0187 DelCarpio M09 0.0074 -0.8573 incorrect 41/ 81 0.0000 1.0000 66.4190 19.4101 20.0305 Vakser M02 0.0070 -0.8615 clashes,incorrect 84/ 81 0.0000 1.0000 76.2294 16.1284 15.8491 Fernandez-Recio M02 0.0069 -0.8621 incorrect 0/ 81 0.0000 nan 78.5475 15.6353 16.1085 Fernandez-Recio M08 0.0069 -0.8623 incorrect 0/ 81 0.0000 nan 75.2922 16.6676 17.0183 Vakser M03 0.0068 -0.8629 incorrect 29/ 81 0.0000 1.0000 77.4948 16.1459 15.8655 LZERD M02 0.0068 -0.8634 incorrect 2/ 81 0.0000 1.0000 78.6553 15.9348 15.6856 Huang M10 0.0067 -0.8646 incorrect 33/ 81 0.0000 1.0000 81.3958 15.5911 14.9900 Huang M05 0.0067 -0.8646 incorrect 33/ 81 0.0000 1.0000 81.3958 15.5911 14.9900 S.Kihara M02 0.0066 -0.8652 incorrect 8/ 81 0.0000 1.0000 74.2236 18.0588 17.7066 S.SWARMDOCK M04 0.0065 -0.8658 incorrect 38/ 81 0.0000 1.0000 72.7715 19.0270 20.0262 DelCarpio M05 0.0065 -0.8658 incorrect 38/ 81 0.0000 1.0000 72.7715 19.0270 20.0262 Huang M04 0.0062 -0.8695 incorrect 0/ 81 0.0000 nan 90.8520 15.0049 14.9103 Kihara M09 0.0058 -0.8733 incorrect 0/ 81 0.0000 nan 78.5829 19.4570 19.4247 Kihara M06 0.0057 -0.8742 incorrect 0/ 81 0.0000 nan 74.6137 22.4969 22.4866 LZERD M01 0.0057 -0.8744 incorrect 0/ 81 0.0000 nan 79.7595 19.4168 19.6463 S.Chang M09 0.0056 -0.8754 incorrect 12/ 81 0.0000 1.0000 79.9106 19.8091 20.2432 LZERD M08 0.0056 -0.8759 incorrect 0/ 81 0.0000 nan 80.3291 19.8905 19.9057 Kihara M01 0.0054 -0.8780 incorrect 0/ 81 0.0000 nan 79.7797 21.3703 21.3833 S.SWARMDOCK M02 0.0054 -0.8781 incorrect 1/ 81 0.0000 1.0000 80.6019 20.9337 20.6060 LZERD M06 0.0051 -0.8804 incorrect 0/ 81 0.0000 nan 89.3264 18.5896 18.4582 GRAMM-X M09 0.0050 -0.8815 incorrect 35/ 81 0.0000 1.0000 91.1656 18.5061 18.4384 Grudinin M09 0.0049 -0.8829 incorrect 8/ 81 0.0000 1.0000 90.9027 19.1960 19.1282 Vakser M09 0.0049 -0.8830 incorrect 0/ 81 0.0000 nan 85.2972 21.4400 21.6811 LZERD M04 0.0048 -0.8837 incorrect 0/ 81 0.0000 nan 85.8339 21.6202 22.1807 DelCarpio M07 0.0047 -0.8854 incorrect 15/ 81 0.0000 1.0000 86.3281 22.4965 23.3593 S.Zou M06 0.0046 -0.8861 incorrect 17/ 81 0.0000 1.0000 86.9949 22.6462 22.5742 S.Weng M09 0.0046 -0.8861 incorrect 12/ 81 0.0000 1.0000 86.9949 22.6462 22.5680 S.Chang M02 0.0046 -0.8861 incorrect 17/ 81 0.0000 1.0000 86.9949 22.6462 22.5742 S.Oliva M01 0.0045 -0.8871 low_id,incorrect 59/ 81 0.0000 1.0000 85.5327 24.3835 23.9147 GRAMM-X M03 0.0045 -0.8873 incorrect 41/ 81 0.0000 1.0000 89.0152 22.4644 21.5919 S.Venclovas M10 0.0043 -0.8894 incorrect 14/ 81 0.0000 1.0000 89.0149 24.1163 24.0486 S.Chang M08 0.0043 -0.8894 incorrect 14/ 81 0.0000 1.0000 89.0149 24.1163 24.0487 LZERD M05 0.0042 -0.8900 incorrect 12/ 81 0.0000 1.0000 101.6528 19.7043 19.4031 Iwadate M02 0.0042 -0.8903 incorrect 0/ 81 0.0000 nan 94.0904 22.2188 22.4161 Kihara M04 0.0040 -0.8923 incorrect 0/ 81 0.0000 nan 87.1740 29.2418 29.6064 Iwadate M01 0.0039 -0.8931 incorrect 0/ 81 0.0000 nan 100.0177 21.9479 22.1414 GRAMM-X M01 0.0039 -0.8933 incorrect 75/ 81 0.0000 1.0000 95.7300 23.8113 23.6503 GRAMM-X M10 0.0037 -0.8952 incorrect 27/ 81 0.0000 1.0000 97.6664 24.6358 24.4405 GRAMM-X M07 0.0036 -0.8963 incorrect 15/ 81 0.0000 1.0000 99.0123 25.0163 24.5170 GRAMM-X M08 0.0035 -0.8980 incorrect 17/ 81 0.0000 1.0000 101.7318 25.3159 24.6134 Kihara M07 0.0032 -0.9014 incorrect 0/ 81 0.0000 nan 99.2099 32.1627 32.3342 Kihara M03 0.0028 -0.9047 incorrect 0/ 81 0.0000 nan 109.1007 30.0671 30.3142

Target: T118.1

Group Model DockQ Zscore Classification nclash fnat fnonnat lrmsd irmsdbb irmsdsc Venclovas M03 0.7731 1.0596 clashes,high 86/ 55 0.6418 0.4911 1.9151 0.9221 2.5564 S.Venclovas M01 0.7261 0.8539 high 14/ 55 0.5448 0.3423 2.1692 0.9946 2.3488 S.Huang M02 0.7261 0.8539 high 14/ 55 0.5448 0.3423 2.1692 0.9946 2.3488 Zou M02 0.7241 0.8453 medium 7/ 55 0.7000 0.3333 1.8355 1.4500 3.2562 S.SWARMDOCK M07 0.7241 0.8453 medium 7/ 55 0.7000 0.3333 1.8355 1.4500 3.2562 S.Zou M06 0.7239 0.8442 medium 9/ 55 0.7000 0.3412 1.8414 1.4515 3.2505 S.Venclovas M02 0.7226 0.8387 high 12/ 55 0.5224 0.3636 2.0017 0.9866 2.3550 S.Bonvin M04 0.7197 0.8259 medium 10/ 55 0.6875 0.4444 3.7486 1.1386 2.4479 Zou M10 0.7196 0.8253 medium 12/ 55 0.6875 0.2857 1.7468 1.4653 3.3343 S.LZERD M05 0.7193 0.8242 medium 13/ 55 0.5299 0.3238 2.1734 1.0068 2.3310 S.Venclovas M04 0.7185 0.8206 high 17/ 55 0.5149 0.3551 2.1134 0.9849 2.3532 Zou M06 0.7182 0.8192 medium 6/ 55 0.6625 0.2933 3.7418 1.0902 2.5339 Zou M03 0.7179 0.8182 medium 14/ 55 0.6750 0.2895 1.8403 1.4309 3.1711 Zou M01 0.7178 0.8176 medium 9/ 55 0.6750 0.3077 1.8272 1.4338 3.0747 S.SWARMDOCK M08 0.7178 0.8176 medium 9/ 55 0.6750 0.3077 1.8272 1.4338 3.0747 S.Zou M05 0.7168 0.8132 medium 10/ 55 0.6750 0.3165 1.8280 1.4424 3.0670 Takeda-Shitaka M03 0.7166 0.8126 medium 44/ 55 0.5672 0.4610 1.7001 1.1713 2.5978 S.Venclovas M03 0.7166 0.8121 high 15/ 55 0.5149 0.3839 2.1372 0.9955 2.3620 S.Bonvin M10 0.7164 0.8116 medium 18/ 55 0.6875 0.4444 3.7457 1.1633 2.3326 Vakser M08 0.7143 0.8025 medium 18/ 55 0.5448 0.4859 1.9438 1.1057 2.4001 S.Bonvin M03 0.7120 0.7922 medium 12/ 55 0.6750 0.4316 3.7424 1.1659 2.4247 Zou M09 0.7103 0.7848 medium 11/ 55 0.6500 0.2571 1.7622 1.4350 3.2705 Eisenstein M01 0.7098 0.7827 medium 27/ 55 0.5224 0.4262 1.7405 1.1072 2.6173 S.Bonvin M05 0.7080 0.7749 medium 10/ 55 0.6750 0.4316 3.7908 1.1867 2.4219 Takeda-Shitaka M10 0.7078 0.7739 medium 25/ 55 0.5000 0.3366 1.7185 1.0701 2.7186 Takeda-Shitaka M01 0.7067 0.7692 medium 43/ 55 0.5448 0.4206 2.0851 1.1442 3.0098 S.Bonvin M02 0.7064 0.7678 medium 9/ 55 0.6750 0.4433 3.8263 1.1924 2.4075 Zou M05 0.7064 0.7675 medium 8/ 55 0.6250 0.3243 3.7389 1.0858 2.3656 S.SWARMDOCK M06 0.7064 0.7675 medium 8/ 55 0.6250 0.3243 3.7389 1.0858 2.3656 Vakser M01 0.7058 0.7650 medium 17/ 55 0.5522 0.4308 2.0027 1.1800 2.4344 Grudinin M04 0.7055 0.7637 medium 3/ 55 0.5000 0.3495 2.2363 1.0261 2.3425 Takeda-Shitaka M09 0.7036 0.7555 medium 51/ 55 0.5149 0.4812 2.0610 1.0972 2.9442 S.LZERD M10 0.7032 0.7538 medium 20/ 55 0.6269 0.3538 2.3896 1.3403 2.9746 S.LZERD M07 0.7030 0.7527 medium 15/ 55 0.6269 0.3778 2.4354 1.3353 2.9140 S.Bonvin M01 0.7024 0.7502 medium 14/ 55 0.6500 0.4409 3.7355 1.1766 2.3475 Takeda-Shitaka M08 0.7020 0.7485 medium 40/ 55 0.5224 0.4355 1.8305 1.1546 2.6914 Takeda-Shitaka M04 0.7007 0.7426 medium 35/ 55 0.4478 0.4495 1.7270 0.9964 2.8579 S.SWARMDOCK M03 0.6997 0.7385 medium 10/ 55 0.5821 0.3445 3.5001 1.0717 2.3112 Venclovas M06 0.6996 0.7381 medium 35/ 55 0.5149 0.4812 2.0550 1.1269 3.1599 Wallner M01 0.6993 0.7365 medium 11/ 55 0.4701 0.3636 1.6946 1.0623 2.3318 S.SWARMDOCK M05 0.6985 0.7332 medium 10/ 55 0.5821 0.3445 3.5512 1.0717 2.3112 S.LZERD M08 0.6980 0.7310 medium 18/ 55 0.6194 0.4276 2.4836 1.3477 2.7164 S.LZERD M06 0.6980 0.7310 medium 14/ 55 0.6343 0.3885 2.5841 1.3723 2.9070 S.SWARMDOCK M04 0.6980 0.7309 medium 10/ 55 0.5821 0.3445 3.5589 1.0741 2.3130 Zou M07 0.6975 0.7285 medium 8/ 55 0.6750 0.2987 1.9088 1.6077 3.4317 Seok M07 0.6965 0.7243 medium 23/ 55 0.6269 0.5030 3.7419 1.1622 2.3299 S.LZERD M09 0.6953 0.7191 medium 16/ 55 0.6269 0.3957 2.6284 1.3671 2.8706 S.Chang M06 0.6935 0.7111 medium 25/ 55 0.6194 0.4877 3.7424 1.1659 2.4247 S.SWARMDOCK M02 0.6921 0.7049 medium 14/ 55 0.5821 0.3554 3.5698 1.1152 2.5386 Vakser M04 0.6920 0.7047 medium 16/ 55 0.4776 0.5524 1.9904 1.0996 2.5814 Zou M04 0.6918 0.7036 medium 7/ 55 0.6375 0.3289 1.8235 1.5557 3.2283 S.SWARMDOCK M01 0.6918 0.7036 medium 7/ 55 0.6375 0.3289 1.8235 1.5557 3.2283 LZERD M01 0.6906 0.6987 medium 20/ 55 0.4729 0.4190 1.7609 1.1246 2.7490 Kihara M01 0.6906 0.6987 medium 20/ 55 0.4729 0.4190 1.7609 1.1246 2.7490 Zou M08 0.6906 0.6985 medium 11/ 55 0.6625 0.3614 1.8932 1.6365 3.4881 Fernandez-Recio M01 0.6894 0.6934 medium 4/ 55 0.5149 0.3670 1.7689 1.2377 3.2239 S.Zou M01 0.6879 0.6867 medium 21/ 55 0.6194 0.5030 3.8263 1.1924 2.4075 S.Zou M02 0.6872 0.6838 medium 26/ 55 0.6045 0.5000 3.7355 1.1766 2.3475 S.Huang M03 0.6872 0.6838 medium 26/ 55 0.6045 0.5000 3.7355 1.1766 2.3475 S.Chang M02 0.6872 0.6838 medium 26/ 55 0.6045 0.5000 3.7355 1.1766 2.3475 Takeda-Shitaka M06 0.6866 0.6812 medium 42/ 55 0.5075 0.5072 1.7539 1.2420 3.0823 S.Fernandez-Recio M06 0.6862 0.6792 medium 12/ 55 0.5970 0.4631 2.5609 1.3712 3.2887 Fernandez-Recio M03 0.6862 0.6792 medium 12/ 55 0.5970 0.4631 2.5609 1.3712 3.2887 S.Grudinin M10 0.6855 0.6763 medium 25/ 55 0.5224 0.5455 1.7527 1.2897 2.7701 Huang M01 0.6842 0.6703 clashes,medium 102/ 55 0.5373 0.4930 2.2889 1.2692 2.8286 Huang M04 0.6841 0.6700 clashes,medium 102/ 55 0.5373 0.4930 2.2900 1.2696 2.8288 Vakser M03 0.6838 0.6689 medium 7/ 55 0.5149 0.4052 1.9475 1.2596 3.2197 S.Vakser M07 0.6837 0.6681 medium 22/ 55 0.5299 0.5989 2.0462 1.2874 2.7020 S.Fernandez-Recio M10 0.6835 0.6674 medium 6/ 55 0.5373 0.4462 2.2405 1.2814 3.2366 S.Vakser M09 0.6835 0.6673 medium 29/ 55 0.5224 0.5954 1.8371 1.2958 2.7579 Gray M04 0.6833 0.6664 medium 3/ 55 0.4030 0.2987 2.1130 0.9703 2.2708 S.Vakser M10 0.6825 0.6630 medium 20/ 55 0.5746 0.4832 3.6989 1.1444 2.3199 S.Weng M05 0.6821 0.6612 medium 14/ 55 0.5746 0.5000 3.7486 1.1386 2.3428 S.Weng M10 0.6820 0.6611 medium 15/ 55 0.5970 0.4771 3.7908 1.1867 2.3939 Guerois M03 0.6820 0.6609 medium 16/ 55 0.6343 0.2975 2.0770 1.5990 3.0909 Vakser M06 0.6813 0.6577 medium 22/ 55 0.5299 0.5267 1.9947 1.3131 3.0453 Gray M01 0.6803 0.6532 medium 6/ 55 0.3955 0.3457 1.6852 1.0217 2.3360 S.Vakser M02 0.6798 0.6514 medium 26/ 55 0.5224 0.5541 1.9751 1.3073 2.7682 Takeda-Shitaka M05 0.6792 0.6485 medium 22/ 55 0.5597 0.3590 3.7488 1.1233 2.9379 S.SWARMDOCK M09 0.6791 0.6480 medium 5/ 55 0.5299 0.3364 1.8169 1.3542 3.4269 S.SWARMDOCK M10 0.6789 0.6473 medium 5/ 55 0.5299 0.3364 1.8267 1.3542 3.4274 S.Weng M04 0.6785 0.6457 medium 10/ 55 0.5746 0.4832 3.7424 1.1659 2.3896 S.Fernandez-Recio M04 0.6785 0.6457 medium 20/ 55 0.5224 0.6000 2.0445 1.3085 2.7149 Gray M10 0.6783 0.6446 medium 8/ 55 0.4104 0.2857 1.7272 1.0668 2.2629 Gray M07 0.6775 0.6413 medium 6/ 55 0.4030 0.2895 2.3578 0.9796 2.3060 S.Weng M01 0.6773 0.6402 medium 17/ 55 0.5746 0.4901 3.7355 1.1766 2.3869 S.LZERD M02 0.6769 0.6385 medium 20/ 55 0.5970 0.5062 3.8360 1.2175 2.3993 Takeda-Shitaka M07 0.6767 0.6377 medium 44/ 55 0.5224 0.4309 1.8353 1.3506 2.6875 S.Weng M09 0.6766 0.6371 medium 13/ 55 0.5672 0.5065 3.7419 1.1622 2.2867 S.Vakser M05 0.6759 0.6340 medium 26/ 55 0.4701 0.6316 1.7359 1.2310 2.7719 S.Venclovas M07 0.6757 0.6333 medium 20/ 55 0.4701 0.5962 1.7619 1.2294 2.7429 Seok M05 0.6757 0.6333 medium 20/ 55 0.4701 0.5962 1.7619 1.2294 2.7429 S.Weng M02 0.6755 0.6322 medium 14/ 55 0.5821 0.5000 3.8263 1.1924 2.4588 S.Moal M05 0.6753 0.6315 medium 9/ 55 0.5522 0.4219 2.2264 1.3903 3.1905 S.Fernandez-Recio M01 0.6742 0.6268 medium 12/ 55 0.5373 0.4857 3.5000 1.1487 2.3705 S.Venclovas M05 0.6739 0.6254 medium 12/ 55 0.4925 0.3654 2.2349 1.2405 2.5103 Grudinin M03 0.6739 0.6254 medium 12/ 55 0.4925 0.3654 2.2349 1.2405 2.5103 Seok M02 0.6738 0.6249 medium 15/ 55 0.5224 0.4737 3.4897 1.1172 2.3435 S.Venclovas M06 0.6723 0.6184 medium 12/ 55 0.4851 0.3689 2.2052 1.2379 2.5087 Grudinin M02 0.6723 0.6184 medium 12/ 55 0.4851 0.3689 2.2052 1.2379 2.5087 S.Moal M04 0.6717 0.6157 medium 12/ 55 0.5821 0.4507 2.4669 1.4685 3.2699 S.Moal M02 0.6714 0.6143 medium 11/ 55 0.5448 0.4297 2.0960 1.4221 3.1948 Shen M01 0.6713 0.6141 medium 8/ 55 0.4701 0.4425 1.7878 1.2602 2.8309 S.Weng M08 0.6701 0.6086 medium 9/ 55 0.5373 0.4857 3.6989 1.1444 2.3268 Venclovas M02 0.6699 0.6081 medium 15/ 55 0.6121 0.4274 2.1861 1.6259 3.5237 S.Fernandez-Recio M09 0.6686 0.6023 medium 14/ 55 0.4627 0.4701 1.7764 1.2634 3.1151 S.Moal M03 0.6678 0.5986 medium 11/ 55 0.5746 0.4797 2.4983 1.4754 3.2758 Iwadate M01 0.6675 0.5973 medium 37/ 55 0.5517 0.4711 1.8224 1.5160 2.7921 Venclovas M04 0.6659 0.5902 medium 37/ 55 0.5862 0.4087 2.1846 1.5822 3.6496 S.Moal M01 0.6657 0.5895 medium 14/ 55 0.5597 0.4792 2.3578 1.4737 3.2563 Zacharias M01 0.6656 0.5890 medium 9/ 55 0.4104 0.4330 1.8672 1.1436 2.7780 S.Fernandez-Recio M07 0.6654 0.5881 medium 6/ 55 0.5224 0.3396 2.3296 1.3744 3.2780 Seok M01 0.6652 0.5875 medium 13/ 55 0.4701 0.4273 1.8185 1.3045 3.1171 S.Bonvin M06 0.6645 0.5845 medium 8/ 55 0.6250 0.4845 2.5074 1.6627 3.1617 S.Seok M03 0.6634 0.5795 medium 13/ 55 0.5522 0.4825 3.1816 1.3271 2.7707 S.Huang M09 0.6628 0.5769 medium 15/ 55 0.4552 0.4602 1.7572 1.2916 3.1867 S.Bonvin M07 0.6615 0.5712 medium 12/ 55 0.5750 0.4390 2.7845 1.4807 3.2620 Guerois M02 0.6598 0.5636 medium 20/ 55 0.5896 0.3577 2.1179 1.6643 3.1164 S.Seok M10 0.6590 0.5602 medium 12/ 55 0.5075 0.4560 3.0063 1.2746 2.6962 Iwadate M02 0.6588 0.5592 medium 43/ 55 0.6121 0.4621 1.9527 1.7833 3.4915 S.Venclovas M08 0.6585 0.5581 medium 11/ 55 0.4478 0.3684 2.2248 1.2456 2.5158 Venclovas M05 0.6574 0.5532 medium 55/ 55 0.4851 0.4841 3.7264 1.1047 2.8348 S.Seok M07 0.6570 0.5516 medium 15/ 55 0.5299 0.4929 2.3072 1.4707 3.3464 Chang M01 0.6565 0.5491 medium 28/ 55 0.4381 0.3947 2.1078 1.2524 2.8607 S.Seok M02 0.6560 0.5471 medium 8/ 55 0.5075 0.4688 2.6650 1.3567 2.8155 SWARMDOCK M10 0.6557 0.5459 medium 34/ 55 0.5000 0.4018 1.8713 1.4601 3.2528 S.Oliva M10 0.6552 0.5437 medium 16/ 55 0.4328 0.4867 1.7912 1.2884 3.1282 S.Venclovas M09 0.6551 0.5431 medium 12/ 55 0.4403 0.3723 2.2518 1.2490 2.5173 Vakser M02 0.6551 0.5429 medium 14/ 55 0.5373 0.4965 1.9885 1.5620 2.9056 S.Fernandez-Recio M03 0.6548 0.5418 medium 14/ 55 0.4701 0.5909 1.8572 1.3847 2.8498 Chang M02 0.6541 0.5386 medium 36/ 55 0.4729 0.3900 3.0361 1.2184 2.7984 S.Venclovas M10 0.6538 0.5373 medium 9/ 55 0.4403 0.3723 2.2979 1.2526 2.5227 S.Chang M08 0.6533 0.5351 medium 21/ 55 0.5000 0.5732 2.3241 1.4143 2.7352 Iwadate M03 0.6527 0.5328 medium 25/ 55 0.5345 0.4414 2.1660 1.5466 2.9583 SWARMDOCK M09 0.6511 0.5257 medium 14/ 55 0.4806 0.4561 1.9769 1.4294 3.0542 Weng M03 0.6507 0.5237 clashes,medium 176/ 55 0.4627 0.5231 1.9059 1.3924 3.4687 S.Fernandez-Recio M05 0.6504 0.5224 medium 19/ 55 0.5448 0.6198 2.7346 1.4996 2.8407 S.Zou M03 0.6503 0.5221 medium 25/ 55 0.5373 0.6044 2.7464 1.4758 2.8141 S.Weng M07 0.6503 0.5221 medium 18/ 55 0.5373 0.5978 2.7464 1.4758 2.7846 S.Vakser M01 0.6503 0.5221 medium 25/ 55 0.5373 0.6044 2.7464 1.4758 2.8141 Seok M10 0.6503 0.5221 medium 25/ 55 0.5373 0.6044 2.7464 1.4758 2.8141 S.Chang M04 0.6503 0.5221 medium 25/ 55 0.5373 0.6044 2.7464 1.4758 2.8141 S.Huang M04 0.6503 0.5221 medium 25/ 55 0.5373 0.6044 2.7465 1.4758 2.8140 S.Seok M01 0.6492 0.5171 medium 9/ 55 0.5000 0.4924 2.3354 1.4479 3.3609 S.Grudinin M07 0.6482 0.5130 medium 15/ 55 0.4851 0.6154 2.4975 1.3871 2.9125 Gray M03 0.6481 0.5123 medium 0/ 55 0.3731 0.3750 2.6463 1.0780 2.3558 Fernandez-Recio M06 0.6475 0.5098 medium 8/ 55 0.5597 0.4403 3.2500 1.4693 3.3535 Guerois M07 0.6475 0.5096 medium 21/ 55 0.6567 0.2787 4.0259 1.5964 2.8639 S.Bonvin M09 0.6473 0.5088 medium 12/ 55 0.5875 0.5204 2.4269 1.7282 3.1210 Guerois M06 0.6469 0.5071 medium 12/ 55 0.5299 0.3426 2.2518 1.5728 3.2595 Weng M01 0.6458 0.5023 clashes,medium 134/ 55 0.4403 0.4914 1.7496 1.3909 3.4685 Zacharias M04 0.6449 0.4985 medium 9/ 55 0.4104 0.3605 2.1439 1.2657 3.1737 S.Grudinin M02 0.6444 0.4962 medium 28/ 55 0.4776 0.5897 3.5561 1.2132 2.4582 S.Zou M09 0.6444 0.4961 medium 13/ 55 0.4478 0.3333 1.8912 1.4056 2.7580 S.Grudinin M09 0.6429 0.4897 medium 21/ 55 0.4851 0.5938 3.5403 1.2468 2.4629 S.Grudinin M05 0.6425 0.4879 medium 20/ 55 0.4627 0.5724 3.4807 1.2034 2.5072 S.Seok M05 0.6424 0.4876 medium 15/ 55 0.4328 0.5000 1.9763 1.3685 3.4114 Zacharias M07 0.6415 0.4834 medium 13/ 55 0.4851 0.3689 2.4603 1.4510 3.2232 S.Grudinin M03 0.6405 0.4792 medium 21/ 55 0.4627 0.5664 3.5274 1.2102 2.5015 S.Chang M07 0.6396 0.4751 medium 30/ 55 0.4627 0.5811 3.5783 1.2081 2.4905 Guerois M04 0.6394 0.4746 medium 10/ 55 0.5672 0.3274 4.0016 1.4053 2.4688 S.Chang M10 0.6390 0.4727 medium 14/ 55 0.5075 0.4769 2.7845 1.4807 3.2620 S.Seok M08 0.6382 0.4692 medium 9/ 55 0.4701 0.5263 2.2517 1.4699 3.4182 S.Seok M09 0.6382 0.4691 medium 14/ 55 0.4925 0.5286 2.4289 1.5073 3.3935 S.Vakser M08 0.6373 0.4652 medium 24/ 55 0.4627 0.5894 3.5940 1.2225 2.4937 Seok M04 0.6369 0.4635 medium 34/ 55 0.5000 0.5964 3.6442 1.3135 2.5239 Chang M03 0.6365 0.4617 medium 40/ 55 0.4409 0.3846 3.2094 1.2417 2.7990 Gray M09 0.6361 0.4598 medium 0/ 55 0.3433 0.2923 2.7416 1.0787 2.2341 S.Bonvin M08 0.6358 0.4585 medium 13/ 55 0.5000 0.4203 3.7463 1.3029 2.4856 S.Huang M05 0.6352 0.4558 medium 26/ 55 0.4776 0.6364 2.7820 1.4279 2.9220 Gray M06 0.6349 0.4545 medium 4/ 55 0.3060 0.3051 2.4850 1.0353 2.2899 S.Fernandez-Recio M08 0.6346 0.4532 medium 22/ 55 0.4627 0.6101 3.6125 1.2401 2.4753 Guerois M08 0.6344 0.4526 medium 14/ 55 0.5224 0.4615 2.3070 1.6601 3.3304 S.LZERD M03 0.6344 0.4524 medium 19/ 55 0.5075 0.5000 2.8951 1.5013 3.1648 Takeda-Shitaka M02 0.6341 0.4511 medium 30/ 55 0.5299 0.4818 3.8885 1.3694 2.9700 Weng M07 0.6332 0.4473 medium 25/ 55 0.4104 0.3605 1.9059 1.3924 3.2647 S.Grudinin M04 0.6326 0.4445 medium 27/ 55 0.4478 0.6026 3.5608 1.2267 2.4706 HADDOCK M07 0.6318 0.4410 medium 12/ 55 0.5000 0.4962 2.0750 1.6531 3.5106 S.Huang M07 0.6316 0.4403 medium 13/ 55 0.4925 0.5352 2.8877 1.4827 3.2730 Seok M06 0.6316 0.4403 medium 13/ 55 0.4925 0.5352 2.8877 1.4827 3.2730 S.Zou M10 0.6311 0.4382 medium 13/ 55 0.4552 0.3222 1.9728 1.5323 2.8386 HADDOCK M01 0.6310 0.4375 medium 13/ 55 0.5149 0.4773 2.1050 1.7067 3.5115 Guerois M05 0.6308 0.4368 medium 12/ 55 0.4776 0.3962 2.0966 1.5859 3.0706 S.Zou M04 0.6299 0.4328 medium 26/ 55 0.5149 0.6349 2.8036 1.5835 3.0003 S.Vakser M06 0.6299 0.4328 medium 26/ 55 0.5149 0.6349 2.8036 1.5835 3.0003 HADDOCK M02 0.6296 0.4315 medium 13/ 55 0.5000 0.5109 2.0858 1.6731 3.4949 Gray M05 0.6294 0.4308 medium 0/ 55 0.3134 0.2759 2.6564 1.0673 2.2910 S.LZERD M01 0.6292 0.4298 medium 17/ 55 0.5149 0.5400 2.3213 1.6848 3.1404 Chang M04 0.6292 0.4296 medium 30/ 55 0.3776 0.5000 2.5961 1.2370 2.7991 S.Grudinin M08 0.6287 0.4277 medium 21/ 55 0.5000 0.5915 3.6776 1.3737 2.5285 Zacharias M05 0.6283 0.4259 medium 10/ 55 0.4552 0.2651 2.1967 1.5230 3.0553 HADDOCK M04 0.6279 0.4241 medium 13/ 55 0.5075 0.4925 2.1002 1.7138 3.5517 S.Grudinin M06 0.6277 0.4232 medium 20/ 55 0.5000 0.5964 3.8367 1.3503 2.4881 S.Fernandez-Recio M02 0.6276 0.4228 medium 12/ 55 0.4776 0.4797 2.7044 1.5084 3.2865 HADDOCK M10 0.6271 0.4204 medium 12/ 55 0.5000 0.4806 2.0991 1.6968 3.4498 S.Zou M08 0.6267 0.4188 medium 15/ 55 0.5000 0.5037 2.0934 1.7014 3.5178 S.Huang M10 0.6261 0.4162 medium 16/ 55 0.5075 0.5036 2.1167 1.7298 3.5568 HADDOCK M06 0.6261 0.4162 medium 16/ 55 0.5075 0.5036 2.1167 1.7298 3.5568 S.Grudinin M01 0.6261 0.4161 medium 30/ 55 0.4925 0.5951 3.7847 1.3534 2.4419 Weng M05 0.6259 0.4152 medium 13/ 55 0.3806 0.3289 1.7496 1.3909 3.2537 S.Huang M01 0.6257 0.4142 medium 27/ 55 0.4701 0.6087 3.7459 1.3041 2.4882 S.Chang M01 0.6257 0.4142 medium 27/ 55 0.4701 0.6087 3.7459 1.3041 2.4882 Seok M08 0.6256 0.4137 medium 20/ 55 0.4851 0.5963 2.3939 1.6088 3.1456 Vakser M05 0.6255 0.4136 medium 13/ 55 0.4851 0.5149 3.6690 1.3609 3.0466 HADDOCK M09 0.6246 0.4094 medium 13/ 55 0.4925 0.5075 2.0963 1.6973 3.5073 HADDOCK M03 0.6242 0.4076 medium 13/ 55 0.5000 0.5037 2.1070 1.7258 3.5816 S.Zou M07 0.6227 0.4011 medium 20/ 55 0.5000 0.5145 2.1139 1.7404 3.5750 Guerois M01 0.6226 0.4009 medium 14/ 55 0.5448 0.3814 4.1328 1.4579 2.3687 Shen M02 0.6226 0.4007 medium 17/ 55 0.4104 0.4500 1.8381 1.4941 3.0071 HADDOCK M05 0.6221 0.3987 medium 11/ 55 0.4851 0.5113 2.0999 1.6964 3.4717 S.Huang M08 0.6209 0.3934 medium 18/ 55 0.4776 0.5871 2.2231 1.6613 3.1327 HADDOCK M08 0.6209 0.3933 medium 12/ 55 0.4851 0.4961 2.1070 1.7080 3.5340 S.Seok M06 0.6208 0.3931 medium 10/ 55 0.4627 0.5000 3.4692 1.3772 2.8286 S.Vakser M03 0.6190 0.3849 medium 24/ 55 0.5000 0.6059 4.0312 1.3830 2.4967 S.Chang M05 0.6190 0.3849 medium 24/ 55 0.5000 0.6059 4.0312 1.3830 2.4967 Fernandez-Recio M02 0.6179 0.3804 medium 4/ 55 0.4627 0.3922 3.4167 1.4120 3.1338 Weng M06 0.6177 0.3795 medium 21/ 55 0.4328 0.3256 1.9221 1.5959 3.6603 Seok M03 0.6171 0.3768 medium 16/ 55 0.4478 0.5946 2.1712 1.6096 3.1341 Gray M02 0.6142 0.3639 medium 0/ 55 0.3060 0.3881 2.4087 1.1973 2.4744 Fernandez-Recio M07 0.6137 0.3619 medium 4/ 55 0.4328 0.2927 2.6058 1.5173 3.3592 S.Vakser M04 0.6137 0.3617 medium 29/ 55 0.4627 0.5867 3.7709 1.3768 2.5988 Seok M09 0.6137 0.3617 medium 29/ 55 0.4627 0.5867 3.7709 1.3768 2.5988 S.Chang M03 0.6137 0.3617 medium 29/ 55 0.4627 0.5867 3.7709 1.3768 2.5988 Weng M08 0.6136 0.3613 medium 12/ 55 0.4104 0.3125 1.7877 1.5844 3.6725 S.Huang M06 0.6131 0.3594 medium 22/ 55 0.4851 0.5988 2.4269 1.7282 3.1211 SWARMDOCK M05 0.6131 0.3591 medium 9/ 55 0.4651 0.4059 2.6187 1.6227 2.9354 Chang M05 0.6129 0.3582 medium 9/ 55 0.4444 0.4222 3.6578 1.3556 3.1304 S.Chang M09 0.6126 0.3572 medium 18/ 55 0.4627 0.6149 2.3072 1.6791 3.1691 Negi M01 0.6121 0.3548 medium 16/ 55 0.4328 0.2927 2.0922 1.6232 2.8882 S.Weng M06 0.6090 0.3413 medium 20/ 55 0.4701 0.5772 4.0312 1.3830 2.5939 Shen M03 0.6074 0.3343 medium 13/ 55 0.3955 0.4239 1.9620 1.5697 3.0606 S.LZERD M04 0.6070 0.3323 medium 25/ 55 0.4701 0.5772 3.9839 1.4101 2.5578 SWARMDOCK M03 0.6069 0.3322 medium 9/ 55 0.4574 0.4158 2.5429 1.6735 2.9792 S.Weng M03 0.6062 0.3290 medium 18/ 55 0.4403 0.5725 3.7709 1.3768 2.6149 S.Seok M04 0.6049 0.3233 medium 11/ 55 0.4179 0.5254 2.8321 1.5100 3.4898 Guerois M09 0.6040 0.3195 medium 18/ 55 0.4478 0.4000 2.4270 1.6934 3.2116 Zacharias M06 0.6031 0.3156 medium 15/ 55 0.4328 0.4867 1.7296 1.7759 3.2371 Chang M10 0.6029 0.3144 medium 16/ 55 0.3235 0.4500 3.0435 1.2280 2.8044 Weng M02 0.6028 0.3143 clashes,medium 56/ 55 0.3881 0.3882 1.9221 1.5959 3.6401 SWARMDOCK M04 0.6025 0.3128 medium 4/ 55 0.4496 0.4369 2.5018 1.7005 3.0647 SWARMDOCK M07 0.6023 0.3121 medium 9/ 55 0.4806 0.3800 2.6990 1.7699 3.0678 Vakser M10 0.6021 0.3109 medium 15/ 55 0.4328 0.5735 2.1648 1.7119 3.3864 S.Oliva M09 0.6017 0.3095 medium 14/ 55 0.4254 0.3214 2.2520 1.6737 2.9192 S.Oliva M07 0.6016 0.3089 medium 14/ 55 0.4254 0.3214 2.2521 1.6751 2.9200 S.Oliva M08 0.6016 0.3087 medium 14/ 55 0.4254 0.3214 2.2522 1.6755 2.9209 S.Oliva M03 0.6016 0.3087 medium 14/ 55 0.4254 0.3214 2.2522 1.6755 2.9206 S.Oliva M06 0.6016 0.3087 medium 14/ 55 0.4254 0.3214 2.2522 1.6756 2.9212 S.Oliva M05 0.6016 0.3087 medium 14/ 55 0.4254 0.3214 2.2522 1.6756 2.9212 S.Oliva M04 0.6016 0.3087 medium 14/ 55 0.4254 0.3214 2.2522 1.6756 2.9212 S.Oliva M02 0.6016 0.3087 medium 14/ 55 0.4254 0.3214 2.2522 1.6756 2.9212 S.Oliva M01 0.6016 0.3087 medium 14/ 55 0.4254 0.3214 2.2522 1.6756 2.9213 Negi M10 0.6016 0.3087 medium 14/ 55 0.4254 0.3214 2.2522 1.6756 2.9212 Chang M06 0.6001 0.3024 medium 33/ 55 0.4427 0.5085 3.8809 1.4122 3.1854 S.Negi M10 0.5977 0.2920 medium 14/ 55 0.4179 0.3412 2.2638 1.6869 2.9233 Negi M08 0.5977 0.2920 medium 14/ 55 0.4179 0.3412 2.2639 1.6869 2.9234 Negi M04 0.5977 0.2919 medium 14/ 55 0.4179 0.3412 2.2639 1.6870 2.9234 Negi M03 0.5977 0.2919 medium 14/ 55 0.4179 0.3412 2.2640 1.6871 2.9235 S.Negi M09 0.5977 0.2918 medium 14/ 55 0.4179 0.3412 2.2641 1.6872 2.9236 S.Negi M08 0.5977 0.2917 medium 14/ 55 0.4179 0.3412 2.2644 1.6875 2.9238 S.Negi M06 0.5977 0.2917 medium 14/ 55 0.4179 0.3412 2.2644 1.6875 2.9238 S.Negi M05 0.5977 0.2917 medium 14/ 55 0.4179 0.3412 2.2644 1.6875 2.9238 Negi M02 0.5977 0.2917 medium 14/ 55 0.4179 0.3412 2.2644 1.6875 2.9238 S.Negi M07 0.5977 0.2916 medium 14/ 55 0.4179 0.3412 2.2645 1.6876 2.9238 S.Negi M03 0.5977 0.2916 medium 14/ 55 0.4179 0.3412 2.2645 1.6876 2.9239 S.Negi M01 0.5977 0.2916 medium 14/ 55 0.4179 0.3412 2.2645 1.6876 2.9239 S.Negi M04 0.5976 0.2916 medium 14/ 55 0.4179 0.3412 2.2646 1.6877 2.9240 S.Negi M02 0.5976 0.2916 medium 14/ 55 0.4179 0.3412 2.2646 1.6877 2.9240 Negi M07 0.5976 0.2916 medium 14/ 55 0.4179 0.3412 2.2646 1.6877 2.9240 Negi M05 0.5976 0.2916 medium 14/ 55 0.4179 0.3412 2.2646 1.6877 2.9239 Negi M09 0.5976 0.2915 medium 14/ 55 0.4179 0.3412 2.2646 1.6878 2.9240 Negi M06 0.5976 0.2915 medium 14/ 55 0.4179 0.3412 2.2646 1.6878 2.9240 SWARMDOCK M08 0.5974 0.2906 medium 9/ 55 0.4574 0.4216 2.6473 1.7508 3.0882 Vakser M07 0.5960 0.2845 medium 31/ 55 0.4104 0.6584 1.9826 1.7296 3.4834 Shen M04 0.5920 0.2667 medium 13/ 55 0.3657 0.4368 2.0151 1.6142 3.0809 Shen M05 0.5867 0.2438 medium 13/ 55 0.3731 0.4253 2.1107 1.6745 3.1185 Shen M10 0.5859 0.2401 medium 13/ 55 0.3806 0.4138 2.1590 1.7002 3.1283 Shen M09 0.5859 0.2401 medium 13/ 55 0.3806 0.4138 2.1590 1.7002 3.1283 Shen M08 0.5859 0.2401 medium 13/ 55 0.3806 0.4138 2.1590 1.7002 3.1283 Shen M07 0.5859 0.2401 medium 13/ 55 0.3806 0.4138 2.1590 1.7002 3.1283 Shen M06 0.5859 0.2401 medium 13/ 55 0.3806 0.4138 2.1590 1.7002 3.1283 Zacharias M03 0.5856 0.2388 medium 13/ 55 0.4179 0.4400 2.8590 1.6904 3.3610 Guerois M10 0.5850 0.2364 medium 17/ 55 0.6119 0.4345 3.9778 2.1723 3.6076 Fernandez-Recio M04 0.5811 0.2190 medium 1/ 55 0.4030 0.3165 3.5974 1.5238 3.2202 Chang M07 0.5809 0.2184 medium 16/ 55 0.4352 0.5204 4.1697 1.4954 3.2485 Chang M08 0.5796 0.2125 medium 16/ 55 0.4423 0.5208 4.2987 1.4996 3.2529 Venclovas M07 0.5784 0.2075 medium 52/ 55 0.5149 0.5000 3.8387 1.8767 3.5264 Chang M09 0.5745 0.1904 medium 12/ 55 0.4300 0.4881 4.4984 1.4633 3.2191 Vajda,Kozakov M01 0.5739 0.1877 medium 18/ 55 0.5000 0.4872 3.9113 1.8506 3.3255 SWARMDOCK M06 0.5694 0.1679 medium 6/ 55 0.4806 0.4206 3.1788 2.0429 3.2049 Fernandez-Recio M10 0.5685 0.1639 medium 3/ 55 0.3657 0.4235 3.3774 1.5735 3.3745 Fernandez-Recio M09 0.5681 0.1624 medium 8/ 55 0.4254 0.5366 4.3933 1.5309 3.1124 Fernandez-Recio M08 0.5670 0.1576 medium 6/ 55 0.4104 0.5217 3.9910 1.5886 3.1904 Zacharias M09 0.5633 0.1412 medium 10/ 55 0.3881 0.4157 3.0760 1.7715 3.3132 Vakser M09 0.5615 0.1333 medium 16/ 55 0.4552 0.4831 3.8561 1.8373 3.3559 Zacharias M08 0.5473 0.0711 medium 21/ 55 0.4030 0.5000 3.4605 1.9119 3.4115 Fernandez-Recio M05 0.5407 0.0422 medium 4/ 55 0.3806 0.5000 3.8668 1.7885 3.3641 SWARMDOCK M02 0.5399 0.0387 medium 10/ 55 0.4729 0.4874 3.3938 2.3804 3.7892 Zacharias M02 0.5390 0.0348 medium 15/ 55 0.4104 0.4149 3.7987 1.9445 3.6554 SWARMDOCK M01 0.5299 -0.0050 medium 7/ 55 0.3798 0.4615 3.5361 2.0113 3.4184 S.Kihara M05 0.5170 -0.0614 medium 6/ 55 0.3881 0.5185 4.5337 1.8982 2.8611 Vajda,Kozakov M02 0.4803 -0.2222 medium 9/ 55 0.3250 0.3810 4.1980 2.2278 3.5079 Vajda,Kozakov M03 0.4775 -0.2343 medium 8/ 55 0.3125 0.3750 4.1814 2.2124 3.4949 Vajda,Kozakov M06 0.4490 -0.3591 acceptable 5/ 55 0.2750 0.4500 4.1430 2.5044 3.7657 Vajda,Kozakov M07 0.4484 -0.3618 acceptable 5/ 55 0.2625 0.4615 4.0672 2.4726 3.7552 CLUSPRO M04 0.4456 -0.3742 acceptable 14/ 55 0.1866 0.5763 4.5588 1.9428 3.3426 CLUSPRO M03 0.4432 -0.3845 acceptable 13/ 55 0.1791 0.5932 4.5578 1.9413 3.3429 CLUSPRO M09 0.4413 -0.3930 acceptable 18/ 55 0.3134 0.5281 5.9430 2.0956 3.4369 CLUSPRO M05 0.4410 -0.3944 acceptable 18/ 55 0.3134 0.5281 5.9429 2.1002 3.4419 CLUSPRO M02 0.4297 -0.4437 acceptable 18/ 55 0.3358 0.5408 6.6028 2.1392 3.4468 CLUSPRO M01 0.4294 -0.4451 acceptable 18/ 55 0.3358 0.5361 6.6013 2.1445 3.4525 Huang M08 0.4090 -0.5341 acceptable 36/ 55 0.2239 0.5000 5.7510 2.2005 3.4698 Huang M07 0.4089 -0.5347 acceptable 36/ 55 0.2239 0.5000 5.7535 2.2018 3.4706 Eisenstein M03 0.3997 -0.5748 acceptable 6/ 55 0.2015 0.5500 5.7747 2.2195 3.3447 Huang M03 0.3676 -0.7157 acceptable 14/ 55 0.1567 0.5333 6.1550 2.3471 3.6710 Grudinin M10 0.3658 -0.7232 acceptable 10/ 55 0.2090 0.4167 7.0230 2.3232 3.5313 Eisenstein M02 0.3396 -0.8380 acceptable 6/ 55 0.1418 0.5870 7.1124 2.3535 3.4491 Vajda,Kozakov M04 0.3350 -0.8583 acceptable 9/ 55 0.3000 0.7037 8.1517 3.1583 4.4324 Grudinin M07 0.2791 -1.1031 incorrect 2/ 55 0.0000 1.0000 6.5515 2.9105 3.6187 CLUSPRO M07 0.2434 -1.2591 incorrect 8/ 55 0.0522 0.8906 8.5683 3.1787 4.4280 CLUSPRO M06 0.2432 -1.2603 incorrect 8/ 55 0.0522 0.8906 8.5704 3.1867 4.4395 Vajda,Kozakov M05 0.2056 -1.4247 incorrect 10/ 55 0.1500 0.8209 11.3661 4.3077 5.5019 Vajda,Kozakov M10 0.2056 -1.4249 incorrect 10/ 55 0.1500 0.8209 11.3692 4.3084 5.5022 Grudinin M08 0.1931 -1.4795 incorrect 7/ 55 0.0299 0.8261 10.0042 3.8783 4.6740 Grudinin M09 0.1858 -1.5114 incorrect 7/ 55 0.0149 0.9130 10.2670 3.7837 4.6898 Vajda,Kozakov M09 0.1838 -1.5202 incorrect 13/ 55 0.2000 0.6735 13.4580 5.6320 6.5093 Vajda,Kozakov M08 0.1796 -1.5386 incorrect 13/ 55 0.1875 0.6875 13.4611 5.6347 6.5013 Zacharias M10 0.1782 -1.5445 incorrect 38/ 55 0.0149 0.9583 11.5144 3.3490 4.4893 Grudinin M05 0.1776 -1.5473 incorrect 8/ 55 0.0224 0.8696 10.3495 4.3203 5.1753 Huang M02 0.1635 -1.6091 incorrect 18/ 55 0.0075 0.9796 11.1716 4.1342 5.0004 Gray M08 0.1570 -1.6376 incorrect 0/ 55 0.0000 1.0000 11.4960 4.1117 4.7566 CLUSPRO M10 0.1500 -1.6680 incorrect 6/ 55 0.0224 0.9474 10.9872 6.3245 7.4014 CLUSPRO M08 0.1496 -1.6700 incorrect 6/ 55 0.0075 0.9833 10.8051 5.9953 7.0623 S.Kihara M03 0.1484 -1.6753 incorrect 6/ 55 0.0625 0.8387 12.8654 5.1322 5.9934 Huang M06 0.1452 -1.6893 incorrect 24/ 55 0.0000 1.0000 11.9974 4.4681 5.4011 Huang M05 0.1452 -1.6894 incorrect 24/ 55 0.0000 1.0000 11.9984 4.4681 5.4011 Grudinin M06 0.1434 -1.6970 incorrect 12/ 55 0.0373 0.8387 13.1808 4.5195 5.5187 S.Kihara M08 0.1416 -1.7051 incorrect 7/ 55 0.0500 0.8519 13.0633 5.1853 6.0280 Grudinin M01 0.1315 -1.7492 incorrect 3/ 55 0.0000 1.0000 13.0196 4.6133 5.6570 S.Kihara M06 0.1056 -1.8627 incorrect 0/ 55 0.0125 0.7500 14.3984 6.8526 7.4661 Huang M09 0.0994 -1.8898 incorrect 14/ 55 0.0075 0.9714 15.8712 5.5650 6.6055 Huang M10 0.0994 -1.8898 incorrect 14/ 55 0.0075 0.9714 15.8703 5.5661 6.6067 Ritchie M09 0.0878 -1.9404 incorrect 10/ 55 0.0224 0.9189 17.0032 7.2498 7.6913 Ritchie M10 0.0815 -1.9678 incorrect 14/ 55 0.0224 0.9062 17.8877 7.5464 7.9860 Moal M09 0.0472 -2.1181 incorrect 0/ 55 0.0000 nan 23.2283 9.6594 10.2744 Moal M10 0.0433 -2.1351 incorrect 0/ 55 0.0000 nan 24.5686 9.7611 10.5041 Eisenstein M04 0.0429 -2.1368 incorrect 0/ 55 0.0000 nan 24.2479 10.6632 11.1605 S.Kihara M10 0.0389 -2.1547 incorrect 0/ 55 0.0000 nan 26.2307 10.1080 10.3212 DelCarpio M08 0.0378 -2.1594 incorrect 0/ 55 0.0000 nan 25.3242 13.5673 14.5403 DelCarpio M06 0.0340 -2.1758 incorrect 4/ 55 0.0000 1.0000 27.9761 11.2007 12.2312 DelCarpio M01 0.0334 -2.1787 incorrect 5/ 55 0.0000 1.0000 27.1307 14.3815 15.1817 DelCarpio M05 0.0321 -2.1843 incorrect 1/ 55 0.0000 1.0000 27.7349 14.6392 15.4440 DelCarpio M03 0.0321 -2.1843 incorrect 1/ 55 0.0000 1.0000 27.7349 14.6392 15.4440 DelCarpio M10 0.0238 -2.2205 incorrect 0/ 55 0.0000 1.0000 31.8826 20.9228 21.3574 Moal M08 0.0220 -2.2285 incorrect 3/ 55 0.0000 1.0000 32.8852 25.6993 26.7460 S.Kihara M09 0.0216 -2.2300 incorrect 4/ 55 0.0000 1.0000 33.7253 20.7194 21.1437 DelCarpio M04 0.0210 -2.2327 incorrect 2/ 55 0.0000 1.0000 35.0830 17.0811 18.4030 GRAMM-X M08 0.0190 -2.2415 incorrect 12/ 55 0.0000 1.0000 36.0916 22.2107 22.4948 GRAMM-X M06 0.0180 -2.2461 incorrect 23/ 55 0.0000 1.0000 38.0910 18.5820 18.9528 Moal M05 0.0173 -2.2492 incorrect 0/ 55 0.0000 1.0000 38.0961 22.5872 23.9050 Moal M01 0.0173 -2.2492 incorrect 0/ 55 0.0000 1.0000 38.1044 22.5586 23.8751 Moal M02 0.0173 -2.2492 incorrect 0/ 55 0.0000 1.0000 38.1069 22.5980 23.8880 Moal M04 0.0172 -2.2493 incorrect 0/ 55 0.0000 1.0000 38.1241 22.5984 23.8925 Moal M03 0.0172 -2.2493 incorrect 0/ 55 0.0000 1.0000 38.1238 22.6245 23.9037 Moal M06 0.0172 -2.2494 incorrect 0/ 55 0.0000 1.0000 38.1504 22.6246 23.9011 Moal M07 0.0172 -2.2495 incorrect 0/ 55 0.0000 1.0000 38.1672 22.6270 23.9283 GRAMM-X M01 0.0159 -2.2550 incorrect 29/ 55 0.0000 1.0000 41.0509 18.2588 18.8828 Ritchie M08 0.0156 -2.2565 incorrect 0/ 55 0.0000 nan 41.2248 19.2871 19.4886 S.Kihara M02 0.0150 -2.2591 incorrect 0/ 55 0.0000 nan 41.3307 22.4222 23.3078 DelCarpio M02 0.0139 -2.2639 incorrect 10/ 55 0.0000 1.0000 45.8943 16.1511 17.7139 Ritchie M07 0.0130 -2.2678 incorrect 10/ 55 0.0000 1.0000 46.5273 18.2053 19.0926 GRAMM-X M05 0.0117 -2.2734 incorrect 15/ 55 0.0000 1.0000 49.4903 18.4082 19.4699 DelCarpio M07 0.0110 -2.2766 incorrect 18/ 55 0.0000 1.0000 50.1128 20.9961 22.1930 DelCarpio M09 0.0108 -2.2777 incorrect 0/ 55 0.0000 nan 49.1792 26.1254 27.3092 S.Kihara M07 0.0103 -2.2798 incorrect 11/ 55 0.0000 1.0000 55.0039 17.2105 17.9793 GRAMM-X M10 0.0098 -2.2819 incorrect 8/ 55 0.0000 1.0000 53.8721 20.9475 21.3552 Ritchie M01 0.0094 -2.2838 incorrect 12/ 55 0.0000 1.0000 55.4240 20.8984 21.8238 Ritchie M02 0.0094 -2.2838 incorrect 15/ 55 0.0000 1.0000 55.4485 20.8946 21.8165 Ritchie M03 0.0093 -2.2841 incorrect 9/ 55 0.0000 1.0000 55.7036 20.8496 21.7621 S.Kihara M04 0.0091 -2.2848 incorrect 12/ 55 0.0000 1.0000 56.2848 20.9414 21.8185 S.Kihara M01 0.0088 -2.2865 incorrect 5/ 55 0.0000 1.0000 58.2560 20.2982 20.8009 GRAMM-X M09 0.0082 -2.2889 incorrect 27/ 55 0.0000 1.0000 69.2961 15.0870 16.2670 Ritchie M04 0.0081 -2.2892 incorrect 13/ 55 0.0000 1.0000 60.2140 21.5358 22.4518 Ritchie M06 0.0081 -2.2894 incorrect 11/ 55 0.0000 1.0000 60.3780 21.5946 22.4896 Ritchie M05 0.0081 -2.2895 incorrect 10/ 55 0.0000 1.0000 60.4848 21.5831 22.4715 GRAMM-X M02 0.0072 -2.2932 incorrect 29/ 55 0.0000 1.0000 72.7229 16.5421 17.7824 GRAMM-X M07 0.0069 -2.2944 incorrect 15/ 55 0.0000 1.0000 67.7793 20.4342 21.4855 GRAMM-X M03 0.0069 -2.2947 incorrect 15/ 55 0.0000 1.0000 68.8173 20.0334 20.9258 GRAMM-X M04 0.0060 -2.2984 incorrect 15/ 55 0.0000 1.0000 79.4856 18.1596 19.4274

Target: T118.2

Group Model DockQ Zscore Classification nclash fnat fnonnat lrmsd irmsdbb irmsdsc Venclovas M01 0.8215 0.7808 high 18/ 46 0.7385 0.2727 1.1509 0.8800 2.3140 S.Fernandez-Recio M03 0.8030 0.7024 high 16/ 46 0.7154 0.3882 1.1642 0.9541 2.4386 Vakser M01 0.8015 0.6960 high 14/ 46 0.6769 0.2903 1.0560 0.8828 2.0153 S.Vakser M02 0.7990 0.6854 high 25/ 46 0.7154 0.3497 1.2683 0.9743 2.5168 Venclovas M03 0.7921 0.6562 high 32/ 46 0.6615 0.2773 1.1510 0.9059 2.3039 S.Grudinin M10 0.7894 0.6447 high 15/ 46 0.6769 0.3433 1.1673 0.9592 2.5022 Seok M01 0.7893 0.6445 high 12/ 46 0.6846 0.3258 1.3055 0.9670 2.1491 Venclovas M02 0.7886 0.6414 medium 8/ 46 0.7154 0.2314 1.0396 1.0644 2.1404 S.Fernandez-Recio M09 0.7861 0.6309 high 10/ 46 0.6692 0.3603 1.2481 0.9580 2.2279 S.Zou M07 0.7853 0.6273 medium 17/ 46 0.7308 0.3066 1.4736 1.0906 2.2455 S.Zou M08 0.7836 0.6200 medium 12/ 46 0.7231 0.2985 1.4794 1.0839 2.1787 S.Bonvin M07 0.7834 0.6194 medium 12/ 46 0.7087 0.3525 1.6882 1.0302 2.2170 S.Vakser M07 0.7828 0.6169 medium 16/ 46 0.6846 0.3643 1.1660 1.0236 2.4788 Zou M08 0.7821 0.6138 medium 13/ 46 0.6772 0.2951 1.1253 1.0142 2.3893 S.Huang M09 0.7819 0.6131 high 16/ 46 0.6692 0.3507 1.2352 0.9885 2.1969 S.Zou M05 0.7810 0.6091 high 12/ 46 0.6535 0.2966 1.1099 0.9675 2.0780 HADDOCK M04 0.7808 0.6082 medium 9/ 46 0.7154 0.2791 1.4409 1.0891 2.2401 HADDOCK M02 0.7807 0.6079 medium 11/ 46 0.7154 0.2901 1.4674 1.0872 2.1898 S.Chang M10 0.7805 0.6071 medium 13/ 46 0.7000 0.3810 1.6881 1.0302 2.2170 Vajda,Kozakov M10 0.7798 0.6043 high 13/ 46 0.6614 0.2696 0.9081 1.0068 2.2676 Vajda,Kozakov M05 0.7798 0.6043 high 12/ 46 0.6614 0.2759 0.9081 1.0068 2.2682 HADDOCK M03 0.7795 0.6030 medium 9/ 46 0.7077 0.2812 1.4935 1.0746 2.2344 Weng M07 0.7794 0.6025 high 17/ 46 0.6615 0.2456 0.9535 1.0073 2.4009 S.Vakser M05 0.7793 0.6020 medium 14/ 46 0.6692 0.3958 1.0209 1.0221 2.4546 S.Fernandez-Recio M04 0.7784 0.5983 medium 15/ 46 0.6769 0.3803 1.1743 1.0359 2.4864 Zou M01 0.7783 0.5979 high 12/ 46 0.6457 0.2931 1.1105 0.9678 2.0636 S.SWARMDOCK M08 0.7783 0.5979 high 12/ 46 0.6457 0.2931 1.1105 0.9678 2.0636 Zou M04 0.7779 0.5962 high 7/ 46 0.6535 0.2783 1.0537 0.9927 2.1142 S.SWARMDOCK M01 0.7779 0.5962 high 7/ 46 0.6535 0.2783 1.0537 0.9927 2.1142 S.Huang M10 0.7774 0.5941 medium 12/ 46 0.7077 0.2923 1.4549 1.0932 2.2459 HADDOCK M06 0.7774 0.5941 medium 12/ 46 0.7077 0.2923 1.4549 1.0932 2.2459 Vajda,Kozakov M08 0.7772 0.5931 high 12/ 46 0.6535 0.2719 0.9081 1.0068 2.2420 Vajda,Kozakov M07 0.7772 0.5931 high 12/ 46 0.6535 0.2719 0.9081 1.0068 2.2595 Vajda,Kozakov M04 0.7772 0.5931 high 13/ 46 0.6535 0.2719 0.9081 1.0068 2.2605 S.Oliva M10 0.7768 0.5914 high 18/ 46 0.6462 0.3538 1.2907 0.9663 2.2439 Zacharias M07 0.7766 0.5907 medium 11/ 46 0.6769 0.2787 1.1534 1.0502 2.2239 Zou M03 0.7766 0.5906 high 9/ 46 0.6378 0.3136 1.0559 0.9651 2.0289 S.Zou M03 0.7765 0.5903 medium 19/ 46 0.6769 0.4054 1.5301 1.0193 2.4691 S.Vakser M01 0.7765 0.5903 medium 19/ 46 0.6769 0.4054 1.5301 1.0193 2.4691 S.Huang M04 0.7765 0.5903 medium 19/ 46 0.6769 0.4054 1.5301 1.0193 2.4690 Seok M10 0.7765 0.5903 medium 19/ 46 0.6769 0.4054 1.5301 1.0193 2.4691 S.Chang M04 0.7765 0.5903 medium 19/ 46 0.6769 0.4054 1.5301 1.0193 2.4691 S.Fernandez-Recio M05 0.7763 0.5891 medium 17/ 46 0.6769 0.4014 1.5219 1.0220 2.4745 S.LZERD M01 0.7757 0.5867 medium 15/ 46 0.6923 0.3836 1.4313 1.0710 2.3011 S.Vakser M09 0.7754 0.5857 high 17/ 46 0.6692 0.3786 0.9736 1.0525 2.5480 S.Venclovas M07 0.7749 0.5834 high 14/ 46 0.6538 0.3704 0.9801 1.0194 2.4698 Seok M05 0.7749 0.5834 high 14/ 46 0.6538 0.3704 0.9801 1.0194 2.4698 Vakser M04 0.7748 0.5827 high 13/ 46 0.6154 0.3985 0.9993 0.9296 2.1308 Vajda,Kozakov M02 0.7746 0.5821 high 12/ 46 0.6457 0.2807 0.9081 1.0068 2.2443 Vajda,Kozakov M01 0.7746 0.5821 high 12/ 46 0.6457 0.2743 0.9081 1.0068 2.2362 S.Seok M08 0.7744 0.5814 medium 10/ 46 0.6615 0.3944 1.2148 1.0247 2.1936 CLUSPRO M07 0.7725 0.5734 high 15/ 46 0.6385 0.2589 0.9154 1.0040 2.3151 CLUSPRO M03 0.7725 0.5734 high 15/ 46 0.6385 0.2589 0.9154 1.0040 2.3243 Zou M07 0.7725 0.5730 medium 14/ 46 0.6457 0.2991 1.1128 1.0089 2.3280 Vajda,Kozakov M09 0.7720 0.5710 high 13/ 46 0.6378 0.2768 0.9081 1.0068 2.2738 Vajda,Kozakov M06 0.7720 0.5710 high 12/ 46 0.6378 0.2768 0.9081 1.0068 2.2376 Vajda,Kozakov M03 0.7720 0.5710 high 12/ 46 0.6378 0.2768 0.9081 1.0068 2.2538 S.Seok M05 0.7720 0.5709 medium 15/ 46 0.6615 0.3630 1.4387 1.0237 2.4058 LZERD M01 0.7714 0.5686 medium 21/ 46 0.6462 0.2696 1.0374 1.0225 2.2203 Kihara M01 0.7714 0.5686 medium 21/ 46 0.6462 0.2696 1.0374 1.0225 2.2203 Guerois M09 0.7714 0.5685 medium 12/ 46 0.6846 0.3154 1.3135 1.0936 2.3631 HADDOCK M10 0.7711 0.5674 medium 8/ 46 0.6923 0.2857 1.4600 1.1013 2.1793 Zou M10 0.7711 0.5673 medium 10/ 46 0.6614 0.2566 1.0922 1.0570 2.4412 Guerois M05 0.7708 0.5658 high 8/ 46 0.5846 0.3153 1.1698 0.8747 1.9537 Zou M02 0.7703 0.5638 medium 14/ 46 0.6378 0.3415 1.0683 1.0087 2.2998 S.SWARMDOCK M07 0.7703 0.5638 medium 14/ 46 0.6378 0.3415 1.0683 1.0087 2.2998 CLUSPRO M10 0.7700 0.5625 high 15/ 46 0.6308 0.2679 0.9154 1.0040 2.3201 CLUSPRO M08 0.7700 0.5625 high 15/ 46 0.6308 0.2679 0.9154 1.0040 2.3207 CLUSPRO M06 0.7700 0.5625 high 15/ 46 0.6308 0.2613 0.9154 1.0040 2.3113 CLUSPRO M02 0.7700 0.5625 high 16/ 46 0.6308 0.2679 0.9154 1.0040 2.3273 S.Fernandez-Recio M02 0.7699 0.5623 medium 9/ 46 0.6769 0.3803 1.6134 1.0582 2.3443 Zou M09 0.7696 0.5611 high 12/ 46 0.6220 0.2617 1.0365 0.9783 2.2798 S.Bonvin M04 0.7695 0.5603 high 16/ 46 0.7480 0.3624 3.3316 0.9971 2.3298 S.Bonvin M10 0.7693 0.5594 high 17/ 46 0.7480 0.3493 3.4042 0.9867 2.3028 S.Weng M07 0.7688 0.5577 medium 15/ 46 0.6538 0.3972 1.5301 1.0193 2.4331 S.Bonvin M01 0.7685 0.5561 medium 15/ 46 0.7559 0.3557 3.4410 1.0047 2.2369 S.Chang M08 0.7682 0.5548 medium 19/ 46 0.6538 0.3841 1.2618 1.0473 2.5502 S.Zou M06 0.7680 0.5542 medium 12/ 46 0.6378 0.3415 1.0767 1.0241 2.3026 S.Zou M04 0.7677 0.5528 medium 14/ 46 0.6769 0.3931 1.1837 1.1124 2.6012 S.Vakser M06 0.7677 0.5528 medium 14/ 46 0.6769 0.3931 1.1837 1.1124 2.6012 HADDOCK M01 0.7675 0.5519 medium 14/ 46 0.6692 0.2627 1.4734 1.0708 2.0864 CLUSPRO M05 0.7674 0.5516 high 15/ 46 0.6231 0.2703 0.9154 1.0040 2.3218 CLUSPRO M04 0.7674 0.5516 high 16/ 46 0.6231 0.2636 0.9154 1.0040 2.3221 CLUSPRO M01 0.7674 0.5516 high 15/ 46 0.6231 0.2703 0.9154 1.0040 2.3250 Seok M06 0.7673 0.5511 medium 14/ 46 0.6923 0.3617 1.8605 1.0880 2.2621 S.Huang M07 0.7673 0.5510 medium 14/ 46 0.6923 0.3617 1.8606 1.0880 2.2621 S.Bonvin M05 0.7672 0.5508 high 13/ 46 0.7402 0.3649 3.3969 0.9839 2.3229 Eisenstein M01 0.7661 0.5462 high 16/ 46 0.6077 0.3130 0.9626 0.9741 2.0944 HADDOCK M07 0.7658 0.5449 medium 11/ 46 0.6846 0.2992 1.4561 1.1216 2.2209 S.Bonvin M03 0.7655 0.5433 high 13/ 46 0.7402 0.3649 3.3992 0.9959 2.2829 Shen M01 0.7654 0.5433 medium 3/ 46 0.6231 0.2895 1.0207 1.0114 2.2766 Seok M07 0.7654 0.5431 high 18/ 46 0.7385 0.3806 3.4003 0.9922 2.3022 S.Zou M02 0.7652 0.5424 medium 17/ 46 0.7462 0.3861 3.4410 1.0047 2.2369 S.Huang M03 0.7652 0.5424 medium 17/ 46 0.7462 0.3861 3.4410 1.0047 2.2369 S.Chang M02 0.7652 0.5424 medium 17/ 46 0.7462 0.3861 3.4410 1.0047 2.2369 CLUSPRO M09 0.7648 0.5407 high 16/ 46 0.6154 0.2727 0.9154 1.0040 2.3216 S.Fernandez-Recio M01 0.7643 0.5383 high 16/ 46 0.7308 0.3709 3.4852 0.9681 2.1381 HADDOCK M08 0.7641 0.5378 medium 13/ 46 0.6846 0.2823 1.4789 1.1318 2.4554 S.Weng M10 0.7641 0.5375 high 12/ 46 0.7308 0.3667 3.3969 0.9839 2.0261 S.Bonvin M06 0.7629 0.5323 medium 16/ 46 0.6535 0.3806 1.2789 1.0833 2.3754 S.LZERD M03 0.7622 0.5294 medium 18/ 46 0.6846 0.3597 1.8579 1.1068 2.2481 Takeda-Shitaka M04 0.7621 0.5291 high 16/ 46 0.6077 0.3070 0.9515 1.0032 2.4347 Venclovas M04 0.7616 0.5270 medium 16/ 46 0.6385 0.2783 1.0594 1.0727 2.5376 Weng M03 0.7615 0.5265 clashes,high 105/ 46 0.6077 0.3680 0.9535 1.0073 2.4751 S.Weng M08 0.7614 0.5263 high 13/ 46 0.7308 0.3624 3.4204 0.9986 2.1685 S.Vakser M10 0.7614 0.5263 high 18/ 46 0.7308 0.3987 3.4204 0.9986 2.3065 Seok M08 0.7612 0.5253 medium 10/ 46 0.6615 0.3857 1.5653 1.0889 2.3619 S.Chang M09 0.7609 0.5238 medium 12/ 46 0.6462 0.3957 1.4390 1.0665 2.4309 Venclovas M06 0.7606 0.5228 high 25/ 46 0.6231 0.3415 0.9696 1.0489 2.4740 Vakser M08 0.7603 0.5213 medium 19/ 46 0.6231 0.4044 1.1479 1.0394 2.1860 S.Weng M09 0.7603 0.5213 high 14/ 46 0.7231 0.3605 3.4003 0.9922 2.1309 S.Weng M04 0.7598 0.5192 high 10/ 46 0.7231 0.3649 3.3992 0.9959 2.1761 S.Chang M06 0.7598 0.5192 high 14/ 46 0.7231 0.3935 3.3992 0.9959 2.2829 Guerois M03 0.7592 0.5166 high 14/ 46 0.6000 0.2973 1.1011 0.9961 1.9697 Takeda-Shitaka M06 0.7587 0.5147 high 24/ 46 0.6231 0.3622 0.9461 1.0641 2.2161 S.Bonvin M02 0.7587 0.5146 medium 17/ 46 0.7323 0.3800 3.3797 1.0284 2.2962 Takeda-Shitaka M07 0.7586 0.5143 high 28/ 46 0.6077 0.3190 0.9315 1.0290 2.3648 S.Weng M05 0.7586 0.5142 high 14/ 46 0.7154 0.3716 3.3316 0.9971 2.1407 Vakser M03 0.7585 0.5136 high 12/ 46 0.6077 0.3361 0.9631 1.0282 2.5662 S.LZERD M08 0.7582 0.5125 medium 16/ 46 0.6154 0.3103 1.1990 1.0322 2.2313 S.Seok M07 0.7576 0.5100 medium 13/ 46 0.6462 0.4000 1.5507 1.0795 2.2982 S.Bonvin M09 0.7575 0.5095 medium 13/ 46 0.6614 0.3778 1.4223 1.1292 2.4059 Seok M02 0.7575 0.5095 high 13/ 46 0.7077 0.3947 3.4649 0.9651 2.2034 HADDOCK M09 0.7568 0.5068 medium 15/ 46 0.6462 0.3226 1.4691 1.0926 2.1721 Weng M05 0.7568 0.5065 medium 16/ 46 0.6000 0.2353 1.0288 1.0178 2.3655 Takeda-Shitaka M01 0.7567 0.5062 high 29/ 46 0.6231 0.3721 0.9738 1.0768 2.5383 Wallner M01 0.7564 0.5049 high 9/ 46 0.5846 0.2621 1.4892 0.9485 1.7498 S.Zou M01 0.7556 0.5016 medium 20/ 46 0.7231 0.4051 3.3797 1.0284 2.2962 S.Grudinin M07 0.7554 0.5006 medium 13/ 46 0.6385 0.3759 1.1336 1.1126 2.5923 Takeda-Shitaka M09 0.7553 0.5002 high 37/ 46 0.6154 0.3798 0.9705 1.0686 2.5672 S.Huang M05 0.7552 0.4997 medium 15/ 46 0.6385 0.3942 1.1853 1.1102 2.5926 S.Weng M01 0.7550 0.4989 medium 13/ 46 0.7154 0.3716 3.4410 1.0047 2.1352 S.Huang M06 0.7549 0.4988 medium 13/ 46 0.6538 0.4056 1.4223 1.1292 2.4059 S.LZERD M02 0.7547 0.4977 medium 16/ 46 0.7308 0.3403 3.3830 1.0526 2.2376 Weng M01 0.7542 0.4956 clashes,medium 96/ 46 0.5923 0.3186 1.0288 1.0178 2.4847 SWARMDOCK M10 0.7533 0.4919 high 25/ 46 0.5769 0.2718 0.9290 0.9939 2.4007 HADDOCK M05 0.7529 0.4903 medium 12/ 46 0.6231 0.3017 1.4772 1.0645 2.0150 Takeda-Shitaka M03 0.7526 0.4890 high 32/ 46 0.6077 0.3525 0.9403 1.0711 2.2778 Guerois M10 0.7523 0.4875 high 13/ 46 0.6692 0.3150 3.0504 0.9779 2.2572 S.Seok M09 0.7513 0.4833 medium 6/ 46 0.6385 0.3759 1.5619 1.1055 2.3013 S.Fernandez-Recio M06 0.7505 0.4801 medium 8/ 46 0.5923 0.3000 1.2072 1.0312 2.5940 Fernandez-Recio M03 0.7505 0.4801 medium 8/ 46 0.5923 0.3000 1.2072 1.0312 2.5940 Takeda-Shitaka M10 0.7503 0.4793 high 14/ 46 0.5769 0.3182 0.9398 1.0143 2.3869 S.LZERD M10 0.7501 0.4783 medium 19/ 46 0.5846 0.3391 1.2040 1.0162 2.2013 Vakser M06 0.7488 0.4729 medium 11/ 46 0.5923 0.3475 1.0296 1.0558 2.2065 Guerois M06 0.7482 0.4703 medium 12/ 46 0.5923 0.2936 1.2898 1.0411 2.2040 Vakser M07 0.7481 0.4698 medium 17/ 46 0.5923 0.3362 1.0958 1.0566 2.6079 Guerois M02 0.7470 0.4653 high 5/ 46 0.5462 0.3486 1.1277 0.9535 2.1319 Zou M05 0.7468 0.4643 high 17/ 46 0.6693 0.3089 3.2410 0.9865 2.2142 S.SWARMDOCK M06 0.7468 0.4643 high 17/ 46 0.6693 0.3089 3.2410 0.9865 2.2142 S.Seok M04 0.7466 0.4632 medium 21/ 46 0.6385 0.4155 2.0579 1.0849 2.3637 S.Fernandez-Recio M10 0.7461 0.4611 medium 7/ 46 0.5769 0.3119 1.1934 1.0276 2.5914 S.LZERD M07 0.7459 0.4605 medium 18/ 46 0.5769 0.3056 1.1950 1.0285 2.1741 S.Zou M10 0.7459 0.4602 medium 18/ 46 0.6538 0.3089 1.3570 1.2029 2.2083 S.Seok M01 0.7456 0.4594 medium 12/ 46 0.6308 0.4101 1.7345 1.1101 2.3135 S.Weng M02 0.7453 0.4581 medium 14/ 46 0.6923 0.3919 3.3797 1.0284 2.1869 S.Zou M09 0.7446 0.4548 medium 18/ 46 0.6308 0.3492 1.2376 1.1652 2.1895 S.SWARMDOCK M10 0.7443 0.4537 high 10/ 46 0.5462 0.3604 1.1079 0.9739 2.3193 Vakser M10 0.7443 0.4535 medium 10/ 46 0.6538 0.3929 1.2187 1.2269 2.5078 S.Huang M08 0.7442 0.4533 medium 10/ 46 0.5846 0.3871 1.0714 1.0678 2.3785 Fernandez-Recio M10 0.7441 0.4529 medium 7/ 46 0.5692 0.3148 1.1940 1.0230 2.5887 S.Fernandez-Recio M07 0.7440 0.4526 medium 7/ 46 0.5692 0.3148 1.2036 1.0229 2.5938 Fernandez-Recio M07 0.7440 0.4523 medium 7/ 46 0.5692 0.3148 1.1884 1.0244 2.5940 Huang M06 0.7438 0.4516 clashes,high 63/ 46 0.5769 0.3304 0.9949 1.0573 2.4643 Huang M05 0.7438 0.4516 clashes,high 63/ 46 0.5769 0.3304 0.9949 1.0573 2.4643 Huang M04 0.7438 0.4516 clashes,high 63/ 46 0.5769 0.3304 0.9949 1.0573 2.4643 Huang M01 0.7438 0.4516 clashes,high 63/ 46 0.5769 0.3304 0.9949 1.0573 2.4643 Vakser M02 0.7427 0.4468 high 12/ 46 0.5462 0.3983 1.0914 0.9865 2.3141 Zacharias M03 0.7426 0.4464 medium 18/ 46 0.6154 0.3846 1.7538 1.0929 2.2377 S.LZERD M09 0.7425 0.4460 medium 15/ 46 0.5692 0.3211 1.1945 1.0345 2.2157 S.SWARMDOCK M09 0.7424 0.4458 high 12/ 46 0.5462 0.3717 1.1151 0.9866 2.3121 Fernandez-Recio M01 0.7422 0.4450 medium 11/ 46 0.5692 0.3084 1.2104 1.0351 2.5988 Zacharias M09 0.7422 0.4449 medium 10/ 46 0.6692 0.3308 1.8701 1.2154 2.4241 Fernandez-Recio M06 0.7415 0.4418 medium 7/ 46 0.5615 0.3178 1.1677 1.0253 2.5889 S.LZERD M06 0.7409 0.4393 medium 14/ 46 0.5615 0.3113 1.2077 1.0265 2.1759 Takeda-Shitaka M08 0.7402 0.4363 high 20/ 46 0.5692 0.3729 0.9656 1.0667 2.5001 Weng M02 0.7380 0.4271 clashes,medium 122/ 46 0.5769 0.3902 1.0700 1.0940 2.5151 S.Fernandez-Recio M08 0.7356 0.4167 medium 14/ 46 0.6769 0.3759 3.4128 1.0559 2.4114 Chang M01 0.7355 0.4162 medium 9/ 46 0.5360 0.2717 1.0387 1.0170 2.2657 Zou M06 0.7342 0.4109 medium 13/ 46 0.6457 0.3051 3.2080 1.0252 2.4434 S.Chang M07 0.7337 0.4088 medium 16/ 46 0.6692 0.3958 3.3696 1.0581 2.3661 Grudinin M08 0.7337 0.4085 medium 7/ 46 0.5462 0.2283 1.5751 1.0102 1.9641 Seok M03 0.7331 0.4062 medium 7/ 46 0.5385 0.3860 1.0449 1.0391 2.2902 S.Moal M02 0.7328 0.4051 medium 8/ 46 0.5462 0.3364 1.2851 1.0416 2.6074 Iwadate M01 0.7315 0.3995 medium 24/ 46 0.6385 0.3413 1.0570 1.2994 2.4989 S.Grudinin M04 0.7303 0.3945 medium 7/ 46 0.6462 0.3684 3.2959 1.0396 2.3962 Weng M06 0.7303 0.3944 medium 30/ 46 0.5538 0.3077 1.0700 1.0940 2.3988 S.Grudinin M05 0.7286 0.3873 medium 9/ 46 0.6462 0.3731 3.2818 1.0540 2.3556 Zacharias M08 0.7280 0.3848 high 12/ 46 0.5538 0.3514 2.4672 0.9632 2.0290 S.Moal M01 0.7279 0.3841 medium 8/ 46 0.5462 0.3173 1.3521 1.0715 2.6619 S.Moal M04 0.7277 0.3834 medium 8/ 46 0.5538 0.3271 1.4325 1.0839 2.6463 S.Grudinin M01 0.7276 0.3830 medium 9/ 46 0.6769 0.3669 3.3167 1.1295 2.4457 Grudinin M04 0.7276 0.3827 medium 5/ 46 0.5462 0.2111 1.7281 1.0381 2.0073 S.Venclovas M10 0.7275 0.3824 medium 3/ 46 0.5462 0.2366 1.8185 1.0289 1.9823 Zacharias M04 0.7272 0.3810 medium 13/ 46 0.6000 0.2778 1.7601 1.1679 2.3116 Weng M04 0.7270 0.3805 clashes,medium 109/ 46 0.5462 0.3772 1.0589 1.1002 2.5229 S.Venclovas M09 0.7252 0.3726 medium 3/ 46 0.5462 0.2366 1.8906 1.0374 1.9886 Chang M04 0.7246 0.3700 medium 13/ 46 0.5378 0.2967 1.4843 1.0635 2.2527 Guerois M01 0.7243 0.3689 medium 13/ 46 0.6231 0.3361 3.3451 1.0197 2.3184 S.Moal M05 0.7240 0.3676 medium 8/ 46 0.5308 0.3429 1.4006 1.0583 2.6297 Guerois M07 0.7240 0.3676 medium 13/ 46 0.6231 0.2895 3.0822 1.0644 2.2651 Guerois M08 0.7236 0.3660 medium 7/ 46 0.5077 0.3889 1.2042 1.0223 2.2661 Iwadate M02 0.7232 0.3644 medium 17/ 46 0.6308 0.3543 1.0862 1.3432 2.5598 S.Venclovas M08 0.7228 0.3627 medium 3/ 46 0.5462 0.2366 1.9415 1.0482 1.9941 S.Vakser M08 0.7219 0.3587 medium 18/ 46 0.6538 0.4014 3.4067 1.1000 2.3741 S.Grudinin M08 0.7214 0.3567 medium 6/ 46 0.6538 0.3561 3.3415 1.1144 2.3842 S.Moal M03 0.7213 0.3560 medium 9/ 46 0.5385 0.3396 1.4670 1.0906 2.6465 S.Grudinin M09 0.7211 0.3553 medium 8/ 46 0.6308 0.3692 3.3175 1.0654 2.3900 S.Grudinin M06 0.7199 0.3501 medium 29/ 46 0.6538 0.3609 3.3628 1.1222 2.4344 S.Grudinin M03 0.7194 0.3482 medium 8/ 46 0.6308 0.3740 3.2971 1.0809 2.4194 Takeda-Shitaka M05 0.7178 0.3411 medium 19/ 46 0.6077 0.3471 3.2021 1.0531 2.3708 Venclovas M05 0.7169 0.3375 medium 26/ 46 0.6000 0.3333 3.2295 1.0365 2.2997 Weng M08 0.7168 0.3370 medium 26/ 46 0.5154 0.3366 1.0589 1.1002 2.4162 Seok M04 0.7159 0.3334 medium 16/ 46 0.6308 0.3881 3.4567 1.0792 2.4073 S.Weng M06 0.7155 0.3315 medium 8/ 46 0.6538 0.3841 3.4738 1.1353 2.3400 S.Vakser M03 0.7155 0.3315 medium 14/ 46 0.6538 0.4056 3.4738 1.1353 2.4584 S.Chang M05 0.7155 0.3315 medium 14/ 46 0.6538 0.4056 3.4738 1.1353 2.4584 S.Venclovas M06 0.7146 0.3279 medium 4/ 46 0.5385 0.2391 2.1143 1.0678 1.9988 Grudinin M02 0.7146 0.3279 medium 4/ 46 0.5385 0.2391 2.1143 1.0678 1.9988 S.Oliva M09 0.7136 0.3237 medium 18/ 46 0.5923 0.3689 1.6585 1.2626 2.3017 S.Venclovas M05 0.7134 0.3226 medium 4/ 46 0.5385 0.2391 2.1486 1.0726 2.0011 Grudinin M03 0.7134 0.3226 medium 4/ 46 0.5385 0.2391 2.1486 1.0726 2.0011 Grudinin M06 0.7132 0.3219 medium 6/ 46 0.4769 0.3333 1.1990 1.0237 2.4028 Iwadate M03 0.7131 0.3213 medium 18/ 46 0.5769 0.4048 1.0855 1.2807 2.5881 Vakser M09 0.7127 0.3199 medium 14/ 46 0.5846 0.3968 3.2238 1.0305 2.3793 S.SWARMDOCK M04 0.7125 0.3187 high 8/ 46 0.5692 0.3509 3.2129 0.9979 2.1807 S.SWARMDOCK M02 0.7125 0.3187 high 8/ 46 0.5692 0.3509 3.2129 0.9979 2.1807 Negi M01 0.7123 0.3182 medium 20/ 46 0.5846 0.3920 1.5773 1.2616 2.2905 S.Grudinin M02 0.7123 0.3178 medium 5/ 46 0.6154 0.3651 3.3487 1.0869 2.4346 S.SWARMDOCK M03 0.7122 0.3177 high 9/ 46 0.5692 0.3565 3.2123 0.9997 2.1796 S.SWARMDOCK M05 0.7122 0.3176 high 9/ 46 0.5692 0.3565 3.2136 0.9997 2.1796 Takeda-Shitaka M02 0.7120 0.3166 medium 18/ 46 0.5923 0.3790 3.1764 1.0620 2.5414 S.LZERD M05 0.7116 0.3152 medium 7/ 46 0.5154 0.2947 2.0325 1.0442 2.1250 Zacharias M01 0.7107 0.3111 medium 14/ 46 0.5615 0.3707 1.6869 1.2034 2.3253 S.Oliva M07 0.7106 0.3110 medium 18/ 46 0.5846 0.3719 1.6627 1.2656 2.3033 Shen M02 0.7106 0.3108 medium 14/ 46 0.5154 0.3300 1.2819 1.1283 2.4073 S.Oliva M03 0.7104 0.3098 medium 18/ 46 0.5846 0.3719 1.6662 1.2674 2.3048 S.Oliva M08 0.7102 0.3090 medium 18/ 46 0.5846 0.3770 1.6684 1.2685 2.3059 S.Oliva M06 0.7101 0.3086 medium 18/ 46 0.5846 0.3770 1.6695 1.2692 2.3066 S.Oliva M02 0.7101 0.3086 medium 18/ 46 0.5846 0.3770 1.6695 1.2692 2.3066 S.Oliva M05 0.7101 0.3086 medium 18/ 46 0.5846 0.3770 1.6696 1.2692 2.3066 S.Oliva M04 0.7101 0.3086 medium 18/ 46 0.5846 0.3770 1.6696 1.2692 2.3066 Negi M10 0.7101 0.3086 medium 18/ 46 0.5846 0.3770 1.6696 1.2692 2.3066 SWARMDOCK M09 0.7101 0.3086 medium 10/ 46 0.5538 0.3077 1.2573 1.2303 2.5812 S.Oliva M01 0.7101 0.3085 medium 18/ 46 0.5846 0.3770 1.6698 1.2693 2.3067 S.LZERD M04 0.7099 0.3081 medium 14/ 46 0.6385 0.4276 3.4209 1.1477 2.4845 Guerois M04 0.7087 0.3026 medium 12/ 46 0.5923 0.3475 3.4884 1.0341 2.2648 S.Negi M10 0.7086 0.3023 medium 19/ 46 0.5923 0.3790 1.6938 1.2985 2.3325 Negi M08 0.7086 0.3022 medium 19/ 46 0.5923 0.3790 1.6939 1.2986 2.3325 Negi M04 0.7085 0.3021 medium 19/ 46 0.5923 0.3790 1.6940 1.2988 2.3327 Negi M03 0.7085 0.3019 medium 19/ 46 0.5923 0.3790 1.6942 1.2991 2.3329 S.Negi M09 0.7085 0.3018 medium 19/ 46 0.5923 0.3790 1.6943 1.2993 2.3331 S.Negi M08 0.7084 0.3014 medium 19/ 46 0.5923 0.3790 1.6948 1.3000 2.3338 S.Negi M06 0.7084 0.3013 medium 19/ 46 0.5923 0.3790 1.6949 1.3002 2.3339 S.Negi M05 0.7083 0.3012 medium 19/ 46 0.5923 0.3790 1.6949 1.3003 2.3339 Negi M02 0.7083 0.3012 medium 19/ 46 0.5923 0.3790 1.6949 1.3003 2.3339 S.Negi M07 0.7083 0.3012 medium 19/ 46 0.5923 0.3790 1.6950 1.3003 2.3340 S.Negi M03 0.7083 0.3012 medium 19/ 46 0.5923 0.3790 1.6950 1.3004 2.3340 S.Negi M01 0.7083 0.3012 medium 19/ 46 0.5923 0.3790 1.6950 1.3004 2.3341 Negi M05 0.7083 0.3009 medium 19/ 46 0.5923 0.3790 1.6952 1.3008 2.3343 S.Negi M04 0.7083 0.3009 medium 19/ 46 0.5923 0.3790 1.6953 1.3009 2.3344 S.Negi M02 0.7083 0.3009 medium 19/ 46 0.5923 0.3790 1.6953 1.3009 2.3344 Negi M07 0.7083 0.3009 medium 19/ 46 0.5923 0.3790 1.6953 1.3009 2.3345 Negi M06 0.7082 0.3008 medium 19/ 46 0.5923 0.3790 1.6954 1.3010 2.3345 Negi M09 0.7082 0.3008 medium 19/ 46 0.5923 0.3790 1.6954 1.3011 2.3346 S.Bonvin M08 0.7069 0.2950 medium 16/ 46 0.6535 0.4196 3.6939 1.1596 2.4551 Grudinin M07 0.7068 0.2949 medium 5/ 46 0.4538 0.2436 1.4952 0.9896 2.0167 S.Weng M03 0.7067 0.2944 medium 13/ 46 0.6462 0.3824 3.6256 1.1547 2.3299 S.Vakser M04 0.7067 0.2944 medium 12/ 46 0.6462 0.4000 3.6256 1.1547 2.4662 Seok M09 0.7067 0.2944 medium 12/ 46 0.6462 0.4000 3.6256 1.1547 2.4662 S.Chang M03 0.7067 0.2944 medium 12/ 46 0.6462 0.4000 3.6256 1.1547 2.4662 S.Venclovas M02 0.7052 0.2877 medium 11/ 46 0.4923 0.2644 1.9640 1.0436 2.0968 S.Chang M01 0.7042 0.2837 medium 17/ 46 0.6462 0.4286 3.6957 1.1610 2.4577 S.Huang M01 0.7042 0.2837 medium 17/ 46 0.6462 0.4286 3.6958 1.1610 2.4577 S.Kihara M05 0.7042 0.2836 medium 18/ 46 0.5462 0.3604 3.1123 1.0183 2.0896 Chang M02 0.7037 0.2814 medium 9/ 46 0.5161 0.2727 1.9481 1.1133 2.3127 S.Venclovas M04 0.7026 0.2767 medium 8/ 46 0.4846 0.2410 2.0092 1.0385 2.0403 S.Venclovas M03 0.7008 0.2695 medium 8/ 46 0.4769 0.2439 1.9873 1.0350 2.0422 Venclovas M07 0.7005 0.2678 medium 21/ 46 0.5692 0.3782 3.2842 1.0717 2.5225 Chang M03 0.6995 0.2638 medium 8/ 46 0.5203 0.2727 2.1086 1.1343 2.2884 S.Huang M02 0.6993 0.2629 medium 8/ 46 0.4769 0.2439 2.0271 1.0414 2.0463 S.Venclovas M01 0.6993 0.2628 medium 8/ 46 0.4769 0.2439 2.0272 1.0414 2.0463 Shen M10 0.6987 0.2602 medium 13/ 46 0.5154 0.2872 1.7040 1.1763 2.4417 Shen M09 0.6987 0.2602 medium 13/ 46 0.5154 0.2872 1.7040 1.1763 2.4417 Shen M08 0.6987 0.2602 medium 13/ 46 0.5154 0.2872 1.7040 1.1763 2.4417 Shen M07 0.6987 0.2602 medium 13/ 46 0.5154 0.2872 1.7040 1.1763 2.4417 Shen M06 0.6987 0.2602 medium 13/ 46 0.5154 0.2872 1.7040 1.1763 2.4417 Chang M10 0.6981 0.2579 medium 13/ 46 0.5000 0.2740 1.9570 1.1136 2.2768 Shen M03 0.6980 0.2572 medium 13/ 46 0.5000 0.3299 1.4373 1.1702 2.4229 Vakser M05 0.6974 0.2550 medium 15/ 46 0.5462 0.4180 3.2509 1.0439 2.5160 Shen M05 0.6962 0.2499 medium 12/ 46 0.5000 0.3011 1.6346 1.1635 2.4319 Fernandez-Recio M02 0.6956 0.2471 medium 20/ 46 0.5231 0.3929 3.1388 1.0205 2.5469 Shen M04 0.6929 0.2360 medium 13/ 46 0.4923 0.3043 1.5353 1.1790 2.4337 Fernandez-Recio M08 0.6878 0.2141 medium 17/ 46 0.5000 0.4091 3.1393 1.0210 2.5393 Fernandez-Recio M09 0.6843 0.1991 medium 14/ 46 0.4923 0.4019 3.1553 1.0253 2.5405 Fernandez-Recio M05 0.6813 0.1868 medium 17/ 46 0.4846 0.4167 3.1347 1.0311 2.5381 Fernandez-Recio M04 0.6799 0.1806 medium 17/ 46 0.4769 0.4259 3.1415 1.0221 2.5346 Chang M07 0.6797 0.1799 medium 17/ 46 0.4622 0.4271 2.9602 1.0169 2.5842 Zacharias M05 0.6766 0.1666 medium 13/ 46 0.5077 0.2979 2.7977 1.1750 2.1336 Chang M08 0.6755 0.1620 medium 11/ 46 0.4623 0.3288 2.9817 1.0438 2.4537 S.Seok M03 0.6753 0.1614 medium 11/ 46 0.5000 0.3868 2.1683 1.2579 2.2984 Grudinin M05 0.6747 0.1587 medium 6/ 46 0.4462 0.2267 2.1087 1.1350 2.0733 Chang M05 0.6732 0.1523 medium 5/ 46 0.4362 0.4058 3.2272 0.9601 2.3704 Chang M06 0.6693 0.1356 medium 17/ 46 0.5172 0.4000 3.9446 1.0580 2.5616 S.Seok M02 0.6612 0.1017 medium 9/ 46 0.4538 0.4216 2.2510 1.2363 2.3461 SWARMDOCK M07 0.6602 0.0971 medium 6/ 46 0.5231 0.2842 1.6236 1.5222 2.5559 S.Seok M06 0.6571 0.0840 medium 10/ 46 0.4308 0.4286 2.3046 1.2020 2.3711 SWARMDOCK M05 0.6565 0.0815 medium 4/ 46 0.5000 0.2697 1.5016 1.5008 2.4114 Zacharias M06 0.6549 0.0747 medium 15/ 46 0.4923 0.3905 3.0278 1.2635 2.3798 Eisenstein M03 0.6543 0.0723 medium 8/ 46 0.4154 0.2603 2.1905 1.1997 2.1905 Grudinin M09 0.6529 0.0661 medium 6/ 46 0.4308 0.2329 2.2658 1.2398 2.1711 Chang M09 0.6489 0.0492 medium 5/ 46 0.4211 0.3333 3.1223 1.1142 2.4719 SWARMDOCK M03 0.6456 0.0351 medium 1/ 46 0.4846 0.3000 1.5631 1.5464 2.4603 SWARMDOCK M04 0.6397 0.0103 medium 4/ 46 0.4769 0.2874 1.5855 1.5745 2.5288 SWARMDOCK M08 0.6358 -0.0062 medium 5/ 46 0.4692 0.3222 1.6184 1.5826 2.6076 Eisenstein M02 0.6344 -0.0120 medium 5/ 46 0.4923 0.3043 3.9520 1.2536 2.3010 S.Seok M10 0.6337 -0.0151 medium 14/ 46 0.4462 0.4141 2.4562 1.4069 2.4254 Zacharias M02 0.6184 -0.0801 medium 13/ 46 0.4538 0.3980 3.6626 1.3353 2.4636 SWARMDOCK M02 0.6138 -0.0996 medium 8/ 46 0.4923 0.4128 2.3648 1.7598 2.9097 SWARMDOCK M01 0.6111 -0.1109 medium 9/ 46 0.4692 0.3900 2.2686 1.7249 2.7850 SWARMDOCK M06 0.6104 -0.1139 medium 7/ 46 0.4231 0.3125 1.9529 1.6311 2.6682 Gray M08 0.6061 -0.1322 medium 2/ 46 0.3615 0.2540 2.6670 1.3669 2.1962 Huang M03 0.5954 -0.1774 medium 35/ 46 0.3769 0.3378 3.2828 1.3869 2.7721 S.Kihara M06 0.5396 -0.4141 medium 13/ 46 0.4173 0.3614 5.4125 1.5307 2.5498 S.Kihara M08 0.5392 -0.4158 medium 11/ 46 0.4173 0.3457 5.4102 1.5349 2.5784 S.Kihara M03 0.5366 -0.4266 medium 11/ 46 0.4094 0.3580 5.3996 1.5365 2.6218 S.Kihara M07 0.5363 -0.4280 medium 11/ 46 0.4094 0.3500 5.4123 1.5367 2.5666 Grudinin M10 0.5312 -0.4494 acceptable 6/ 46 0.2615 0.3929 3.7909 1.5057 2.6232 Huang M10 0.5157 -0.5151 medium 22/ 46 0.3308 0.2833 4.7451 1.6449 2.5464 Huang M07 0.5157 -0.5151 medium 22/ 46 0.3308 0.2833 4.7451 1.6449 2.5464 Huang M09 0.5157 -0.5151 medium 22/ 46 0.3308 0.2833 4.7451 1.6450 2.5464 Huang M08 0.5157 -0.5151 medium 22/ 46 0.3308 0.2833 4.7451 1.6450 2.5464 Grudinin M01 0.5136 -0.5242 acceptable 5/ 46 0.2154 0.2632 3.0770 1.6880 2.5904 Zacharias M10 0.4832 -0.6531 medium 11/ 46 0.3231 0.4684 4.5342 2.0533 3.0479 Gray M09 0.4717 -0.7016 acceptable 2/ 46 0.1769 0.2812 4.0077 1.7621 2.3334 Gray M07 0.4682 -0.7167 acceptable 2/ 46 0.1692 0.2667 3.9687 1.7835 2.3927 Gray M05 0.4565 -0.7661 acceptable 6/ 46 0.1769 0.2812 4.2197 1.8746 2.4454 Gray M03 0.4546 -0.7742 acceptable 3/ 46 0.1769 0.3030 4.2401 1.8911 2.4509 Gray M06 0.4271 -0.8908 acceptable 0/ 46 0.1385 0.3333 4.5206 1.9858 2.4909 Gray M02 0.3894 -1.0506 acceptable 4/ 46 0.1308 0.3704 5.3644 2.1757 2.6861 S.Kihara M10 0.3855 -1.0669 acceptable 1/ 46 0.2154 0.3333 6.6705 2.1748 2.6173 Gray M10 0.3824 -1.0804 acceptable 2/ 46 0.1308 0.4138 5.4906 2.2342 2.6931 Gray M01 0.3534 -1.2029 incorrect 2/ 46 0.0846 0.4211 5.5961 2.4166 2.8496 Gray M04 0.2660 -1.5735 incorrect 1/ 46 0.0462 0.3333 7.3337 3.2170 3.5197 DelCarpio M09 0.0892 -2.3230 incorrect 12/ 46 0.0000 1.0000 15.8872 6.9124 7.4038 DelCarpio M02 0.0421 -2.5226 incorrect 26/ 46 0.0385 0.9474 28.9212 16.4708 17.1555 Moal M03 0.0376 -2.5417 incorrect 7/ 46 0.0000 1.0000 24.4539 21.3001 23.1166 Moal M05 0.0374 -2.5426 incorrect 23/ 46 0.0077 0.9767 25.5454 21.8143 23.6032 Moal M02 0.0364 -2.5466 incorrect 4/ 46 0.0000 1.0000 24.8794 21.7638 23.5168 DelCarpio M07 0.0364 -2.5469 incorrect 10/ 46 0.0000 1.0000 25.5026 15.6404 16.2787 GRAMM-X M02 0.0355 -2.5504 incorrect 29/ 46 0.0000 1.0000 26.0037 14.8739 15.8691 Eisenstein M04 0.0351 -2.5521 incorrect 0/ 46 0.0000 1.0000 26.2611 14.5076 15.8126 Moal M06 0.0302 -2.5728 incorrect 2/ 46 0.0000 1.0000 27.6256 22.9772 24.2966 Moal M04 0.0294 -2.5763 incorrect 4/ 46 0.0077 0.9744 29.6718 21.8215 23.4537 S.Kihara M01 0.0291 -2.5777 incorrect 18/ 46 0.0000 1.0000 28.8978 17.0688 17.9399 DelCarpio M04 0.0287 -2.5795 incorrect 0/ 46 0.0000 nan 28.9378 18.4993 19.2059 Ritchie M06 0.0285 -2.5803 incorrect 12/ 46 0.0000 1.0000 29.2820 16.9984 17.9684 Ritchie M04 0.0284 -2.5804 incorrect 12/ 46 0.0000 1.0000 29.3029 16.9923 17.9298 Ritchie M05 0.0284 -2.5804 incorrect 12/ 46 0.0000 1.0000 29.3163 16.9543 17.9615 Ritchie M03 0.0283 -2.5811 incorrect 13/ 46 0.0000 1.0000 29.5213 16.3706 17.4804 Ritchie M07 0.0282 -2.5816 incorrect 10/ 46 0.0000 1.0000 29.6679 16.0401 16.9821 Ritchie M01 0.0281 -2.5818 incorrect 13/ 46 0.0000 1.0000 29.6160 16.4282 17.5385 Moal M07 0.0281 -2.5820 incorrect 2/ 46 0.0000 1.0000 28.7754 23.7910 25.2237 Ritchie M02 0.0280 -2.5821 incorrect 10/ 46 0.0000 1.0000 29.6402 16.5645 17.5809 Huang M02 0.0278 -2.5833 incorrect 12/ 46 0.0000 1.0000 30.9977 12.8733 13.3890 Moal M01 0.0275 -2.5844 incorrect 9/ 46 0.0000 1.0000 29.3086 21.3270 23.4261 GRAMM-X M07 0.0270 -2.5864 incorrect 15/ 46 0.0000 1.0000 29.9052 18.7526 19.6967 DelCarpio M08 0.0224 -2.6061 incorrect 13/ 46 0.0000 1.0000 34.0888 16.0703 16.5158 GRAMM-X M05 0.0222 -2.6069 incorrect 15/ 46 0.0000 1.0000 34.0061 16.9671 16.9638 S.Kihara M09 0.0186 -2.6220 incorrect 0/ 46 0.0077 0.8571 40.3611 19.7932 20.6661 Ritchie M08 0.0172 -2.6279 incorrect 5/ 46 0.0000 1.0000 42.5075 12.9471 13.1764 GRAMM-X M09 0.0169 -2.6296 incorrect 27/ 46 0.0000 1.0000 40.0359 17.3455 17.9586 DelCarpio M01 0.0156 -2.6351 incorrect 0/ 46 0.0000 1.0000 40.8159 20.9521 21.3563 DelCarpio M05 0.0154 -2.6359 incorrect 0/ 46 0.0000 1.0000 41.1054 21.0427 21.4296 DelCarpio M03 0.0154 -2.6359 incorrect 0/ 46 0.0000 1.0000 41.1054 21.0427 21.4296 Moal M10 0.0153 -2.6363 incorrect 22/ 46 0.0077 0.9896 54.4501 12.4484 12.7705 Moal M09 0.0148 -2.6381 incorrect 20/ 46 0.0077 0.9886 55.7650 12.5497 12.8618 DelCarpio M10 0.0148 -2.6383 incorrect 0/ 46 0.0000 nan 41.2385 25.0133 25.4789 GRAMM-X M04 0.0148 -2.6384 incorrect 15/ 46 0.0000 1.0000 43.2115 17.8185 18.3331 DelCarpio M06 0.0119 -2.6505 incorrect 0/ 46 0.0000 nan 46.6819 24.9007 25.0542 S.Kihara M02 0.0112 -2.6533 incorrect 6/ 46 0.0000 1.0000 49.1886 21.7720 22.1736 S.Kihara M04 0.0109 -2.6546 incorrect 12/ 46 0.0000 1.0000 50.9392 19.7612 20.1012 Moal M08 0.0093 -2.6618 incorrect 37/ 46 0.0000 1.0000 54.2008 24.4051 25.6200 GRAMM-X M01 0.0092 -2.6620 incorrect 29/ 46 0.0000 1.0000 55.5606 21.7713 21.9545 GRAMM-X M03 0.0078 -2.6678 incorrect 15/ 46 0.0000 1.0000 61.0882 22.3116 22.5113 Ritchie M09 0.0054 -2.6781 incorrect 5/ 46 0.0000 1.0000 72.5363 29.0155 29.3569 Ritchie M10 0.0054 -2.6781 incorrect 6/ 46 0.0000 1.0000 72.5739 29.0106 29.3452 GRAMM-X M06 0.0049 -2.6803 incorrect 23/ 46 0.0000 1.0000 80.1774 25.1279 26.1837 GRAMM-X M10 0.0046 -2.6814 incorrect 8/ 46 0.0000 1.0000 82.1629 26.2888 27.1378 GRAMM-X M08 0.0043 -2.6825 incorrect 12/ 46 0.0000 1.0000 82.2563 30.0810 31.0351

Target: T118.3

Group Model DockQ Zscore Classification nclash fnat fnonnat lrmsd irmsdbb irmsdsc Weng M03 0.8928 0.9779 clashes,high 36/ 20 0.9273 0.2388 1.1493 0.8222 2.2871 S.Zou M05 0.8717 0.9041 high 4/ 20 0.8364 0.1481 1.0645 0.7639 2.0632 Zou M01 0.8716 0.9037 high 3/ 20 0.8364 0.1636 1.0603 0.7650 2.0753 S.SWARMDOCK M08 0.8716 0.9037 high 3/ 20 0.8364 0.1636 1.0603 0.7650 2.0753 S.Zou M06 0.8637 0.8760 high 7/ 20 0.8000 0.1538 1.1720 0.7273 2.1740 Zou M02 0.8632 0.8745 high 8/ 20 0.8000 0.1373 1.1602 0.7313 2.1865 S.SWARMDOCK M07 0.8632 0.8745 high 8/ 20 0.8000 0.1373 1.1602 0.7313 2.1865 S.Chang M10 0.8604 0.8646 high 3/ 20 0.8727 0.2000 1.5766 0.8851 1.4821 S.Bonvin M07 0.8604 0.8646 high 3/ 20 0.8727 0.2000 1.5766 0.8851 1.4820 S.LZERD M09 0.8575 0.8545 high 9/ 20 0.9091 0.2647 1.6532 0.9822 1.8002 Zou M08 0.8534 0.8400 high 4/ 20 0.8182 0.1346 1.5221 0.8128 2.0626 Vakser M01 0.8526 0.8374 high 4/ 20 0.7455 0.2407 1.1429 0.6784 1.5861 Zou M04 0.8499 0.8277 high 3/ 20 0.7818 0.1731 1.1259 0.7849 2.1090 S.SWARMDOCK M01 0.8499 0.8277 high 3/ 20 0.7818 0.1731 1.1259 0.7849 2.1090 S.LZERD M08 0.8443 0.8081 high 4/ 20 0.8364 0.1930 1.5701 0.9137 1.6169 Venclovas M03 0.8427 0.8027 high 9/ 20 0.7455 0.1633 1.0783 0.7535 1.5382 SWARMDOCK M07 0.8414 0.7982 high 0/ 20 0.8727 0.1111 2.4116 0.9212 1.8718 Takeda-Shitaka M10 0.8408 0.7958 high 6/ 20 0.7455 0.1458 1.1790 0.7602 2.1486 S.Fernandez-Recio M02 0.8406 0.7952 high 2/ 20 0.8182 0.3077 1.7387 0.8805 1.4962 HADDOCK M10 0.8406 0.7952 high 7/ 20 0.8545 0.1296 1.8648 0.9513 2.1934 Zou M03 0.8404 0.7944 high 3/ 20 0.7636 0.1064 1.1096 0.8100 1.8745 S.LZERD M06 0.8396 0.7917 high 7/ 20 0.8545 0.2540 1.6578 0.9799 1.7512 HADDOCK M09 0.8393 0.7906 high 6/ 20 0.8545 0.1455 1.8703 0.9599 2.1307 S.Huang M07 0.8391 0.7899 high 3/ 20 0.8182 0.2241 1.8072 0.8840 1.4678 Seok M06 0.8391 0.7899 high 3/ 20 0.8182 0.2241 1.8072 0.8840 1.4678 Zacharias M07 0.8389 0.7893 high 3/ 20 0.8182 0.1818 1.6150 0.9045 2.0137 Weng M07 0.8382 0.7869 high 16/ 20 0.7636 0.2222 1.1493 0.8222 2.1052 S.LZERD M03 0.8369 0.7823 high 3/ 20 0.8000 0.2414 1.8196 0.8557 1.5493 Weng M01 0.8363 0.7803 high 13/ 20 0.7455 0.2115 1.0865 0.7977 2.2877 S.Fernandez-Recio M09 0.8358 0.7786 high 3/ 20 0.8364 0.2203 1.3032 0.9958 1.6131 SWARMDOCK M08 0.8353 0.7766 high 1/ 20 0.8364 0.1636 2.3817 0.8841 1.8829 SWARMDOCK M05 0.8350 0.7755 high 2/ 20 0.8364 0.1481 2.4933 0.8713 1.8085 SWARMDOCK M04 0.8349 0.7751 high 1/ 20 0.8364 0.1154 2.3604 0.8897 1.8563 SWARMDOCK M03 0.8341 0.7725 high 1/ 20 0.8364 0.1321 2.3815 0.8922 1.8353 SWARMDOCK M09 0.8337 0.7709 high 2/ 20 0.7818 0.1042 1.4877 0.8686 2.0537 Zou M07 0.8333 0.7696 high 4/ 20 0.7818 0.1400 1.5196 0.8683 2.1242 S.Zou M09 0.8299 0.7579 medium 5/ 20 0.8545 0.1754 1.3760 1.0746 1.6541 S.Zou M03 0.8297 0.7572 high 3/ 20 0.7818 0.2951 1.5716 0.8881 1.8925 S.Weng M07 0.8297 0.7572 high 3/ 20 0.7818 0.3175 1.5716 0.8881 1.8197 S.Vakser M01 0.8297 0.7572 high 3/ 20 0.7818 0.2951 1.5716 0.8881 1.8925 Seok M10 0.8297 0.7572 high 3/ 20 0.7818 0.2951 1.5716 0.8881 1.8925 S.Chang M04 0.8297 0.7572 high 3/ 20 0.7818 0.2951 1.5716 0.8881 1.8925 S.Huang M04 0.8297 0.7572 high 3/ 20 0.7818 0.2951 1.5716 0.8882 1.8925 S.Fernandez-Recio M05 0.8296 0.7568 high 3/ 20 0.7818 0.3175 1.5632 0.8896 1.9102 Vakser M06 0.8291 0.7551 high 2/ 20 0.7636 0.1923 1.3990 0.8657 1.6357 S.LZERD M07 0.8289 0.7542 high 6/ 20 0.8182 0.1667 1.5688 0.9788 1.8259 S.Vakser M09 0.8286 0.7534 high 3/ 20 0.7636 0.2222 1.4828 0.8617 2.2392 S.Zou M08 0.8281 0.7516 high 6/ 20 0.8182 0.1667 1.8632 0.9540 2.1279 Seok M01 0.8271 0.7478 medium 3/ 20 0.8182 0.2241 1.3660 1.0098 1.5760 Zou M09 0.8270 0.7477 high 3/ 20 0.7455 0.1087 1.2120 0.8533 1.6311 Venclovas M01 0.8269 0.7474 high 5/ 20 0.7091 0.2041 1.0971 0.7779 1.5979 S.Seok M05 0.8259 0.7439 high 2/ 20 0.7636 0.2364 1.2000 0.9036 1.9112 LZERD M01 0.8251 0.7409 high 19/ 20 0.7091 0.1702 1.1797 0.7849 1.5771 Kihara M01 0.8251 0.7409 high 19/ 20 0.7091 0.1702 1.1797 0.7849 1.5771 Zacharias M01 0.8244 0.7386 high 7/ 20 0.7455 0.1087 1.2332 0.8698 2.2313 Zacharias M05 0.8240 0.7371 high 3/ 20 0.7818 0.1400 1.6835 0.9171 1.5408 S.Seok M08 0.8237 0.7360 high 3/ 20 0.7273 0.1837 1.3676 0.8223 1.4508 HADDOCK M02 0.8231 0.7339 high 7/ 20 0.8182 0.1509 1.8552 0.9901 2.1673 HADDOCK M07 0.8226 0.7323 high 5/ 20 0.8182 0.2105 1.8772 0.9910 2.3563 Iwadate M01 0.8225 0.7320 high 6/ 20 0.7455 0.2679 1.3799 0.8711 2.0261 Iwadate M02 0.8220 0.7302 high 6/ 20 0.7455 0.2264 1.3217 0.8796 1.7920 S.Venclovas M02 0.8202 0.7239 high 4/ 20 0.6727 0.1395 1.2448 0.7290 1.4467 S.Fernandez-Recio M03 0.8199 0.7226 high 3/ 20 0.7273 0.2308 1.4079 0.8453 1.8904 S.LZERD M10 0.8197 0.7222 medium 5/ 20 0.8182 0.2623 1.5336 1.0467 1.8245 HADDOCK M01 0.8191 0.7198 high 8/ 20 0.8000 0.1698 1.8635 0.9749 2.2442 S.Huang M09 0.8189 0.7192 high 3/ 20 0.7818 0.2321 1.2581 0.9908 1.5336 S.Oliva M10 0.8179 0.7159 medium 3/ 20 0.8000 0.2542 1.3269 1.0347 1.5251 S.Zou M07 0.8174 0.7141 high 7/ 20 0.8000 0.1538 1.8570 0.9872 2.2907 HADDOCK M06 0.8173 0.7135 high 5/ 20 0.8000 0.1852 1.8695 0.9869 2.3172 S.Huang M10 0.8172 0.7135 high 5/ 20 0.8000 0.1852 1.8695 0.9870 2.3172 Zou M10 0.8172 0.7132 high 8/ 20 0.7273 0.0909 1.3040 0.8726 1.9292 S.Venclovas M03 0.8170 0.7126 high 3/ 20 0.6727 0.1395 1.3086 0.7467 1.4577 Grudinin M04 0.8163 0.7101 high 2/ 20 0.7091 0.1522 1.3185 0.8354 1.5783 S.LZERD M05 0.8151 0.7059 high 3/ 20 0.6909 0.2245 1.4413 0.7913 1.4047 HADDOCK M03 0.8148 0.7049 medium 6/ 20 0.8000 0.1698 1.8836 1.0026 2.2489 S.Zou M04 0.8144 0.7034 high 3/ 20 0.7818 0.2951 2.2319 0.9220 2.3509 S.Vakser M06 0.8144 0.7034 high 3/ 20 0.7818 0.2951 2.2319 0.9220 2.3509 HADDOCK M05 0.8143 0.7032 medium 5/ 20 0.8000 0.1200 1.8702 1.0076 2.2868 Takeda-Shitaka M04 0.8135 0.7005 high 6/ 20 0.6727 0.1778 1.2180 0.7780 2.1767 Iwadate M03 0.8114 0.6932 high 7/ 20 0.7273 0.2308 1.4368 0.9011 1.8818 S.Venclovas M04 0.8105 0.6898 high 2/ 20 0.6545 0.1429 1.2385 0.7554 1.4512 Venclovas M02 0.8088 0.6840 high 6/ 20 0.7273 0.2453 1.5118 0.9126 1.7895 Venclovas M06 0.8084 0.6824 high 7/ 20 0.7091 0.2041 1.4439 0.8797 2.2438 S.Fernandez-Recio M10 0.8082 0.6819 high 5/ 20 0.7091 0.2500 1.4198 0.8828 2.3059 Vakser M07 0.8078 0.6803 medium 2/ 20 0.7636 0.2759 1.2213 1.0291 2.1817 S.Grudinin M05 0.8076 0.6798 high 9/ 20 0.8364 0.2812 3.3636 0.9311 1.6051 HADDOCK M04 0.8074 0.6791 medium 8/ 20 0.7818 0.1887 1.8145 1.0194 2.2735 S.Grudinin M04 0.8072 0.6782 high 8/ 20 0.8182 0.2742 3.4162 0.8836 1.5000 S.Vakser M02 0.8056 0.6728 high 1/ 20 0.7273 0.2727 1.3520 0.9488 2.2015 Takeda-Shitaka M06 0.8054 0.6721 high 11/ 20 0.6909 0.1556 1.3881 0.8629 1.9751 Takeda-Shitaka M07 0.8043 0.6683 high 3/ 20 0.6727 0.1591 1.3684 0.8301 1.9271 S.Venclovas M01 0.8036 0.6656 high 2/ 20 0.6545 0.1429 1.4347 0.7876 1.4790 S.Huang M02 0.8036 0.6656 high 2/ 20 0.6545 0.1429 1.4347 0.7876 1.4790 SWARMDOCK M06 0.8035 0.6653 medium 2/ 20 0.8545 0.2034 2.5421 1.1298 2.0201 S.Fernandez-Recio M06 0.8031 0.6641 high 8/ 20 0.7273 0.2453 1.6117 0.9428 2.2793 Fernandez-Recio M03 0.8031 0.6641 high 8/ 20 0.7273 0.2453 1.6117 0.9428 2.2793 Venclovas M04 0.8028 0.6630 high 10/ 20 0.6909 0.2083 1.4971 0.8715 1.8899 S.Fernandez-Recio M04 0.8025 0.6619 high 3/ 20 0.6909 0.3214 1.8227 0.8415 2.3035 S.Grudinin M10 0.8024 0.6616 high 1/ 20 0.7091 0.2778 1.1837 0.9419 2.1942 S.Fernandez-Recio M08 0.8019 0.6598 high 1/ 20 0.8182 0.2742 3.5038 0.9058 1.5255 S.Grudinin M07 0.8013 0.6578 high 3/ 20 0.7636 0.2500 2.2685 0.9658 2.2818 S.Huang M05 0.8008 0.6561 high 3/ 20 0.7818 0.2712 2.5534 0.9738 2.2826 Wallner M01 0.8003 0.6543 high 3/ 20 0.6545 0.2500 1.0261 0.8409 1.3376 S.Chang M08 0.7980 0.6462 high 1/ 20 0.6909 0.2830 1.8365 0.8712 2.1204 SWARMDOCK M10 0.7976 0.6447 high 4/ 20 0.6182 0.1282 1.1827 0.7650 2.2973 Zacharias M04 0.7976 0.6446 medium 5/ 20 0.8364 0.1321 2.2126 1.1750 2.2830 HADDOCK M08 0.7970 0.6425 medium 4/ 20 0.7636 0.1923 1.8779 1.0436 2.3947 S.Chang M01 0.7966 0.6412 high 1/ 20 0.8182 0.3478 3.6895 0.9120 1.7734 Zou M06 0.7964 0.6405 high 7/ 20 0.7455 0.1458 3.5881 0.7619 1.7335 Takeda-Shitaka M08 0.7960 0.6391 high 5/ 20 0.6727 0.1957 1.5276 0.8740 2.2687 Zou M05 0.7957 0.6380 high 3/ 20 0.7455 0.1277 3.6170 0.7621 2.0774 S.SWARMDOCK M06 0.7957 0.6380 high 3/ 20 0.7455 0.1277 3.6170 0.7621 2.0774 S.Chang M07 0.7951 0.6361 high 3/ 20 0.8182 0.2969 3.4928 0.9547 1.6272 Guerois M05 0.7950 0.6357 high 4/ 20 0.6182 0.2609 1.3848 0.7670 1.2787 Weng M05 0.7939 0.6317 high 0/ 20 0.6182 0.2444 1.0865 0.7977 2.0523 S.Zou M10 0.7938 0.6314 medium 5/ 20 0.8000 0.1698 1.3941 1.2055 1.6964 S.Grudinin M02 0.7934 0.6302 high 1/ 20 0.8000 0.3016 3.4523 0.9309 1.7532 Takeda-Shitaka M09 0.7910 0.6215 high 8/ 20 0.6545 0.2174 1.4278 0.8755 2.0699 S.Venclovas M08 0.7909 0.6214 high 2/ 20 0.6364 0.2391 1.4118 0.8354 1.4054 S.Huang M01 0.7905 0.6199 high 1/ 20 0.8000 0.3529 3.6895 0.9120 1.7734 S.Venclovas M06 0.7901 0.6185 high 2/ 20 0.6364 0.2391 1.4043 0.8417 1.4120 Grudinin M02 0.7901 0.6185 high 2/ 20 0.6364 0.2391 1.4043 0.8417 1.4120 S.Venclovas M05 0.7895 0.6164 high 2/ 20 0.6364 0.2391 1.4081 0.8455 1.4149 Grudinin M03 0.7895 0.6164 high 2/ 20 0.6364 0.2391 1.4081 0.8455 1.4149 S.Venclovas M07 0.7895 0.6163 high 1/ 20 0.6545 0.2941 1.3892 0.8892 2.1613 Seok M05 0.7895 0.6163 high 1/ 20 0.6545 0.2941 1.3892 0.8892 2.1613 S.Vakser M07 0.7892 0.6154 high 3/ 20 0.6545 0.3077 1.8370 0.8480 2.2952 S.Venclovas M09 0.7876 0.6098 high 3/ 20 0.6364 0.2391 1.5342 0.8474 1.4155 Vakser M03 0.7869 0.6074 high 5/ 20 0.6727 0.2449 1.3556 0.9519 2.2509 S.SWARMDOCK M09 0.7867 0.6067 high 2/ 20 0.6182 0.1500 1.4253 0.8213 2.2313 S.SWARMDOCK M10 0.7867 0.6065 high 2/ 20 0.6182 0.1500 1.4280 0.8213 2.2313 Vakser M09 0.7860 0.6042 high 2/ 20 0.7636 0.1250 3.6416 0.8670 2.2171 Chang M04 0.7852 0.6012 medium 4/ 20 0.7755 0.0952 2.4204 1.0885 1.7502 S.Bonvin M08 0.7851 0.6009 high 2/ 20 0.7818 0.3582 3.6891 0.9077 1.7729 Takeda-Shitaka M01 0.7843 0.5982 high 9/ 20 0.6364 0.1463 1.4481 0.8781 2.2266 Weng M06 0.7824 0.5917 high 7/ 20 0.6727 0.2745 1.5388 0.9671 2.3552 Takeda-Shitaka M03 0.7815 0.5883 high 8/ 20 0.6182 0.1707 1.4261 0.8577 2.2312 S.Moal M04 0.7793 0.5807 high 9/ 20 0.6727 0.2745 1.4470 0.9973 2.2830 Weng M02 0.7764 0.5704 clashes,high 64/ 20 0.6545 0.2174 1.5388 0.9671 2.2814 Seok M03 0.7762 0.5697 medium 11/ 20 0.6909 0.4062 1.9378 1.0124 1.5052 Negi M01 0.7759 0.5689 medium 7/ 20 0.8182 0.1667 1.5486 1.3796 1.7835 S.Seok M01 0.7751 0.5659 high 5/ 20 0.6545 0.2653 1.6212 0.9682 1.5533 Eisenstein M01 0.7747 0.5645 high 2/ 20 0.5818 0.1579 1.2582 0.8343 1.6939 SWARMDOCK M01 0.7744 0.5636 medium 0/ 20 0.8000 0.0638 2.5813 1.2050 2.1840 Takeda-Shitaka M02 0.7740 0.5622 high 5/ 20 0.7273 0.0909 3.6171 0.8704 2.1667 Venclovas M07 0.7734 0.5600 high 6/ 20 0.6909 0.1364 3.5971 0.7938 2.0780 Takeda-Shitaka M05 0.7723 0.5561 high 4/ 20 0.6909 0.1556 3.6505 0.7927 2.2072 Zacharias M09 0.7723 0.5560 medium 4/ 20 0.7636 0.2075 3.1568 1.0423 2.3658 S.Moal M05 0.7718 0.5542 medium 12/ 20 0.6727 0.2745 1.3994 1.0552 2.3732 Shen M01 0.7701 0.5483 high 3/ 20 0.6000 0.1750 1.2573 0.9086 1.6598 S.Moal M03 0.7689 0.5443 medium 16/ 20 0.6727 0.2885 1.4311 1.0726 2.3646 S.Moal M01 0.7681 0.5413 medium 14/ 20 0.6727 0.2600 1.4189 1.0800 2.3835 Vakser M08 0.7677 0.5399 high 3/ 20 0.5818 0.2558 1.2186 0.8861 1.5218 Vakser M04 0.7663 0.5351 high 6/ 20 0.5636 0.3261 1.2678 0.8498 1.5444 S.Chang M09 0.7661 0.5342 medium 9/ 20 0.6545 0.3793 1.9089 1.0015 1.5986 S.Seok M03 0.7658 0.5335 high 8/ 20 0.6000 0.2979 1.2914 0.9352 1.7439 S.Huang M08 0.7637 0.5261 medium 5/ 20 0.6545 0.3333 1.9827 1.0094 1.6602 S.Venclovas M10 0.7609 0.5161 high 1/ 20 0.5818 0.2558 1.5362 0.9066 1.4715 Guerois M06 0.7608 0.5159 high 2/ 20 0.5636 0.2439 2.3706 0.7711 1.2994 Venclovas M05 0.7601 0.5133 high 9/ 20 0.6545 0.1220 3.6186 0.7986 2.2383 Seok M08 0.7596 0.5116 medium 7/ 20 0.6545 0.2800 2.2532 1.0056 1.5115 Guerois M10 0.7596 0.5115 high 2/ 20 0.6909 0.2083 4.0226 0.8181 1.3803 S.Bonvin M06 0.7583 0.5070 medium 13/ 20 0.6545 0.3898 2.0024 1.0459 1.4885 S.LZERD M01 0.7567 0.5017 medium 8/ 20 0.6364 0.3269 1.9178 1.0236 1.7473 Fernandez-Recio M06 0.7552 0.4963 medium 12/ 20 0.7636 0.3115 2.8072 1.2238 2.3971 S.Moal M02 0.7541 0.4923 medium 4/ 20 0.6364 0.2222 1.6795 1.0685 2.3203 Shen M02 0.7523 0.4862 medium 2/ 20 0.6182 0.0286 1.6551 1.0401 1.7658 S.Weng M04 0.7488 0.4740 medium 7/ 20 0.7273 0.2000 3.6192 1.0463 1.6983 S.Weng M09 0.7484 0.4725 medium 7/ 20 0.7273 0.2308 3.5348 1.0638 1.7677 S.Zou M01 0.7466 0.4663 medium 5/ 20 0.7091 0.2353 3.7097 1.0035 1.6648 S.Weng M02 0.7466 0.4663 medium 5/ 20 0.7091 0.2353 3.7097 1.0035 1.7537 S.Bonvin M02 0.7466 0.4663 medium 5/ 20 0.7091 0.2353 3.7097 1.0035 1.6649 S.Seok M10 0.7457 0.4628 medium 7/ 20 0.5818 0.2558 1.4566 1.0203 1.5128 S.Zou M02 0.7454 0.4619 medium 7/ 20 0.7091 0.2500 3.5438 1.0404 1.6190 S.Chang M02 0.7454 0.4619 medium 7/ 20 0.7091 0.2500 3.5438 1.0404 1.6190 S.Bonvin M01 0.7454 0.4619 medium 7/ 20 0.7091 0.2500 3.5438 1.0404 1.6190 S.Huang M03 0.7454 0.4619 medium 7/ 20 0.7091 0.2500 3.5438 1.0405 1.6189 S.Seok M06 0.7449 0.4603 medium 7/ 20 0.6182 0.2609 1.9191 1.0644 1.9728 S.Seok M09 0.7440 0.4569 medium 7/ 20 0.6000 0.3654 1.3251 1.0872 1.6027 S.Weng M08 0.7439 0.4567 high 7/ 20 0.6727 0.2449 3.5148 0.9703 1.7168 S.Bonvin M03 0.7428 0.4528 medium 7/ 20 0.7091 0.1875 3.6191 1.0463 1.6007 S.Chang M06 0.7428 0.4527 medium 7/ 20 0.7091 0.1875 3.6192 1.0463 1.6007 Fernandez-Recio M10 0.7427 0.4527 medium 11/ 20 0.7091 0.2778 3.1357 1.1276 2.4092 Seok M07 0.7423 0.4512 medium 7/ 20 0.7091 0.2353 3.5348 1.0638 1.7362 S.Weng M03 0.7413 0.4475 medium 8/ 20 0.7818 0.3065 3.8891 1.1864 1.7389 Guerois M03 0.7410 0.4467 high 2/ 20 0.5273 0.2162 1.6532 0.9070 1.3575 Fernandez-Recio M07 0.7410 0.4464 medium 8/ 20 0.6364 0.2391 1.9892 1.1289 2.3066 Zacharias M02 0.7408 0.4457 high 5/ 20 0.6909 0.0952 3.9848 0.9550 2.1549 S.Weng M01 0.7393 0.4407 medium 7/ 20 0.6909 0.2549 3.5438 1.0404 1.7349 S.Seok M02 0.7389 0.4391 medium 7/ 20 0.5636 0.2250 1.5043 1.0209 1.7638 S.Oliva M09 0.7388 0.4388 medium 9/ 20 0.7455 0.1633 1.7539 1.4653 1.9332 S.Fernandez-Recio M01 0.7384 0.4373 high 2/ 20 0.6545 0.1628 3.3832 0.9881 1.5683 S.Oliva M07 0.7383 0.4372 medium 9/ 20 0.7455 0.1800 1.7579 1.4688 1.9365 Seok M02 0.7381 0.4363 high 5/ 20 0.6545 0.1429 3.3517 0.9954 1.6756 Chang M10 0.7381 0.4362 medium 6/ 20 0.6981 0.1395 2.9498 1.1655 1.7507 S.Oliva M03 0.7379 0.4357 medium 9/ 20 0.7455 0.1800 1.7623 1.4719 1.9396 S.Vakser M10 0.7378 0.4354 high 3/ 20 0.6545 0.2174 3.5148 0.9703 1.6555 S.Oliva M08 0.7377 0.4349 medium 9/ 20 0.7455 0.1800 1.7661 1.4736 1.9413 S.Oliva M06 0.7375 0.4344 medium 9/ 20 0.7455 0.1800 1.7688 1.4744 1.9422 S.Oliva M02 0.7375 0.4344 medium 9/ 20 0.7455 0.1800 1.7689 1.4744 1.9422 S.Oliva M05 0.7375 0.4343 medium 9/ 20 0.7455 0.1800 1.7690 1.4745 1.9423 S.Oliva M04 0.7375 0.4343 medium 9/ 20 0.7455 0.1800 1.7690 1.4745 1.9423 Negi M10 0.7375 0.4343 medium 9/ 20 0.7455 0.1800 1.7690 1.4745 1.9423 S.Oliva M01 0.7375 0.4342 medium 9/ 20 0.7455 0.1800 1.7694 1.4747 1.9424 S.Huang M06 0.7370 0.4326 medium 8/ 20 0.6545 0.4098 2.2094 1.1746 1.7310 S.Bonvin M09 0.7370 0.4326 medium 8/ 20 0.6545 0.4098 2.2094 1.1746 1.7310 Guerois M02 0.7358 0.4282 medium 0/ 20 0.5818 0.2727 1.7657 1.0601 1.9314 S.Negi M10 0.7354 0.4271 medium 9/ 20 0.7455 0.1800 1.7944 1.4895 1.9470 Negi M08 0.7354 0.4271 medium 9/ 20 0.7455 0.1800 1.7944 1.4895 1.9470 Negi M04 0.7354 0.4271 medium 9/ 20 0.7455 0.1800 1.7945 1.4895 1.9470 Negi M03 0.7354 0.4270 medium 9/ 20 0.7455 0.1800 1.7947 1.4896 1.9471 S.Grudinin M03 0.7354 0.4270 medium 3/ 20 0.6545 0.2800 3.4068 1.0050 1.7755 S.Negi M09 0.7354 0.4270 medium 9/ 20 0.7455 0.1800 1.7948 1.4897 1.9471 S.Negi M08 0.7354 0.4269 medium 9/ 20 0.7455 0.1800 1.7952 1.4898 1.9472 S.Negi M06 0.7354 0.4269 medium 9/ 20 0.7455 0.1800 1.7952 1.4899 1.9472 S.Negi M07 0.7354 0.4269 medium 9/ 20 0.7455 0.1800 1.7953 1.4899 1.9472 S.Negi M05 0.7354 0.4269 medium 9/ 20 0.7455 0.1800 1.7953 1.4899 1.9471 S.Negi M03 0.7354 0.4269 medium 9/ 20 0.7455 0.1800 1.7953 1.4899 1.9471 S.Negi M01 0.7354 0.4269 medium 9/ 20 0.7455 0.1800 1.7953 1.4899 1.9471 Negi M02 0.7354 0.4269 medium 9/ 20 0.7455 0.1800 1.7953 1.4899 1.9471 Negi M05 0.7354 0.4268 medium 9/ 20 0.7455 0.1800 1.7954 1.4900 1.9472 S.Negi M04 0.7354 0.4268 medium 9/ 20 0.7455 0.1800 1.7955 1.4900 1.9472 S.Negi M02 0.7354 0.4268 medium 9/ 20 0.7455 0.1800 1.7955 1.4900 1.9472 Negi M07 0.7354 0.4268 medium 9/ 20 0.7455 0.1800 1.7955 1.4900 1.9472 Negi M06 0.7354 0.4268 medium 9/ 20 0.7455 0.1800 1.7955 1.4900 1.9472 Negi M09 0.7354 0.4268 medium 9/ 20 0.7455 0.1800 1.7956 1.4900 1.9471 S.Bonvin M05 0.7351 0.4260 medium 7/ 20 0.6727 0.1957 3.6271 1.0131 1.6837 Weng M08 0.7341 0.4223 medium 0/ 20 0.5455 0.2308 1.3808 1.0233 2.4471 S.Bonvin M10 0.7314 0.4129 medium 8/ 20 0.6727 0.2449 3.5385 1.0547 1.7570 SWARMDOCK M02 0.7307 0.4103 medium 2/ 20 0.7455 0.0889 2.5661 1.4126 2.3080 S.SWARMDOCK M03 0.7301 0.4083 high 5/ 20 0.5636 0.1622 3.5688 0.8047 1.9156 Guerois M07 0.7295 0.4061 high 2/ 20 0.6364 0.1860 4.4041 0.8346 1.3643 S.Bonvin M04 0.7292 0.4053 medium 7/ 20 0.6727 0.2128 3.6540 1.0504 1.7254 S.Vakser M04 0.7292 0.4052 medium 10/ 20 0.7455 0.3387 3.8891 1.1864 1.9384 Seok M09 0.7292 0.4052 medium 10/ 20 0.7455 0.3387 3.8891 1.1864 1.9384 S.Chang M03 0.7292 0.4052 medium 10/ 20 0.7455 0.3387 3.8891 1.1864 1.9384 S.SWARMDOCK M04 0.7291 0.4050 high 5/ 20 0.5636 0.1622 3.6083 0.8047 1.9156 S.SWARMDOCK M05 0.7291 0.4048 high 5/ 20 0.5636 0.1622 3.6107 0.8047 1.9156 S.Weng M10 0.7291 0.4047 medium 9/ 20 0.6545 0.2340 3.6271 1.0131 1.7467 S.SWARMDOCK M02 0.7289 0.4041 high 5/ 20 0.5636 0.1622 3.6193 0.8047 1.9156 Chang M02 0.7251 0.3907 medium 4/ 20 0.6545 0.2174 2.9478 1.1544 1.8074 Fernandez-Recio M01 0.7238 0.3864 medium 4/ 20 0.4727 0.2778 1.0764 0.9480 2.2966 S.Seok M04 0.7235 0.3851 medium 7/ 20 0.5636 0.4038 1.6790 1.1144 1.8098 S.Weng M05 0.7232 0.3841 medium 9/ 20 0.6545 0.2500 3.6540 1.0504 1.7246 Vakser M10 0.7225 0.3817 medium 3/ 20 0.5273 0.2927 1.3967 1.0612 1.8936 Weng M04 0.7219 0.3798 clashes,medium 42/ 20 0.5091 0.2222 1.3808 1.0233 2.3173 S.Vakser M05 0.7195 0.3712 medium 5/ 20 0.4727 0.3333 1.3901 0.9544 2.4194 Guerois M04 0.7188 0.3687 high 2/ 20 0.5273 0.2564 4.0587 0.7154 1.2082 Chang M03 0.7186 0.3681 medium 4/ 20 0.7059 0.1818 3.3172 1.2710 1.8331 Guerois M09 0.7181 0.3664 high 2/ 20 0.5091 0.2000 2.1963 0.9637 1.5204 S.Vakser M08 0.7173 0.3636 medium 5/ 20 0.6182 0.3200 3.5036 1.0314 1.5944 S.Grudinin M08 0.7147 0.3545 medium 7/ 20 0.6545 0.3333 3.5881 1.1228 1.7339 S.Weng M06 0.7107 0.3404 medium 4/ 20 0.6909 0.3333 3.9273 1.1815 1.7946 S.LZERD M02 0.7101 0.3383 medium 6/ 20 0.6000 0.2979 3.7142 1.0041 1.7701 S.Grudinin M06 0.7090 0.3346 medium 3/ 20 0.6545 0.2941 3.7447 1.1369 1.9002 S.Grudinin M09 0.7086 0.3329 medium 3/ 20 0.5818 0.3191 3.4397 1.0182 1.8542 Seok M04 0.7042 0.3178 medium 4/ 20 0.6182 0.2917 3.5735 1.1136 1.8592 Fernandez-Recio M04 0.7026 0.3120 medium 1/ 20 0.4727 0.2121 3.3754 0.8170 2.5497 Chang M01 0.7018 0.3094 medium 0/ 20 0.5294 0.1000 2.0809 1.1431 1.7980 S.Grudinin M01 0.6997 0.3018 medium 2/ 20 0.6182 0.3200 3.6779 1.1286 1.8912 Vakser M02 0.6994 0.3007 medium 0/ 20 0.4000 0.2414 1.2658 0.9360 1.6586 S.Seok M07 0.6975 0.2943 medium 2/ 20 0.5455 0.2857 2.0379 1.2211 1.6574 Shen M03 0.6948 0.2849 medium 2/ 20 0.5455 0.0323 1.9261 1.2560 1.9079 S.LZERD M04 0.6933 0.2794 medium 2/ 20 0.6364 0.3396 3.8834 1.1841 1.8353 Fernandez-Recio M02 0.6919 0.2747 medium 2/ 20 0.4364 0.2258 3.3126 0.8169 2.5711 Vakser M05 0.6880 0.2611 medium 2/ 20 0.4545 0.2424 3.5157 0.8529 2.5059 S.Vakser M03 0.6865 0.2556 medium 4/ 20 0.6182 0.3462 3.9273 1.1815 1.9199 S.Chang M05 0.6865 0.2556 medium 4/ 20 0.6182 0.3462 3.9273 1.1815 1.9199 Chang M05 0.6826 0.2419 medium 2/ 20 0.4000 0.2000 3.4808 0.7704 2.6739 Shen M10 0.6822 0.2406 medium 2/ 20 0.6182 0.0811 2.3432 1.5030 2.1067 Shen M09 0.6822 0.2406 medium 2/ 20 0.6182 0.0811 2.3432 1.5030 2.1067 Shen M08 0.6822 0.2406 medium 2/ 20 0.6182 0.0811 2.3432 1.5030 2.1067 Shen M07 0.6822 0.2406 medium 2/ 20 0.6182 0.0811 2.3432 1.5030 2.1067 Shen M06 0.6822 0.2406 medium 2/ 20 0.6182 0.0811 2.3432 1.5030 2.1067 Chang M06 0.6808 0.2356 medium 2/ 20 0.4727 0.1034 3.4958 0.9487 2.6728 Zacharias M03 0.6801 0.2332 medium 3/ 20 0.4364 0.3143 2.3420 1.0423 1.3984 Shen M04 0.6788 0.2287 medium 2/ 20 0.5273 0.0333 2.0983 1.3122 1.9275 Chang M07 0.6756 0.2177 medium 0/ 20 0.4909 0.1562 4.0902 0.9260 2.6726 S.Fernandez-Recio M07 0.6752 0.2162 medium 2/ 20 0.4727 0.1875 1.9725 1.2145 2.2694 Chang M08 0.6666 0.1859 medium 2/ 20 0.5294 0.1818 4.3466 1.0348 2.6867 Zacharias M06 0.6641 0.1773 medium 4/ 20 0.4182 0.3235 2.4788 1.0946 1.8168 Huang M01 0.6632 0.1741 medium 6/ 20 0.3818 0.1923 1.8350 1.0951 2.2879 Huang M04 0.6631 0.1739 medium 6/ 20 0.3818 0.1923 1.8363 1.0954 2.2880 Vajda,Kozakov M02 0.6616 0.1685 medium 6/ 20 0.6000 0.1750 3.9025 1.3326 2.0631 Zacharias M08 0.6606 0.1649 medium 3/ 20 0.4545 0.3902 3.0021 1.1296 1.9013 Vajda,Kozakov M03 0.6553 0.1466 medium 6/ 20 0.5636 0.1622 3.7282 1.3195 2.0803 Fernandez-Recio M05 0.6480 0.1209 medium 1/ 20 0.4727 0.3158 3.6136 1.1635 2.6950 Chang M09 0.6437 0.1057 medium 4/ 20 0.5294 0.1562 4.8866 1.1007 2.6635 Shen M05 0.6418 0.0991 medium 2/ 20 0.4545 0.0385 2.2709 1.3916 1.9823 Vajda,Kozakov M06 0.6351 0.0759 medium 4/ 20 0.5636 0.2250 3.6758 1.5019 2.1218 Vajda,Kozakov M07 0.6314 0.0628 medium 5/ 20 0.5455 0.2308 3.5066 1.5176 2.1756 Guerois M01 0.5946 -0.0662 medium 0/ 20 0.3091 0.1905 4.1150 1.0659 1.6015 Guerois M08 0.5855 -0.0981 acceptable 0/ 20 0.2909 0.2000 2.3958 1.3870 2.0097 S.Kihara M05 0.5852 -0.0991 medium 3/ 20 0.5273 0.2750 4.7091 1.6153 2.2167 Fernandez-Recio M08 0.5790 -0.1208 medium 0/ 20 0.3273 0.2500 3.8743 1.2723 2.7669 Fernandez-Recio M09 0.5719 -0.1456 medium 0/ 20 0.3455 0.2692 4.3660 1.2792 2.7857 Vajda,Kozakov M01 0.4750 -0.4849 acceptable 1/ 20 0.2545 0.1765 3.7680 2.1151 2.4872 CLUSPRO M09 0.4328 -0.6327 acceptable 0/ 20 0.2727 0.1176 6.2678 1.9249 2.4741 CLUSPRO M05 0.4325 -0.6336 acceptable 0/ 20 0.2727 0.1176 6.2648 1.9290 2.4744 Gray M09 0.4267 -0.6539 acceptable 0/ 20 0.1455 0.0000 4.7122 1.9586 2.3096 Gray M10 0.4257 -0.6573 acceptable 0/ 20 0.1091 0.0000 4.4278 1.9097 2.2534 CLUSPRO M02 0.4095 -0.7143 acceptable 0/ 20 0.2545 0.1250 6.9368 1.9420 2.4879 CLUSPRO M01 0.4092 -0.7153 acceptable 0/ 20 0.2545 0.1250 6.9345 1.9463 2.4884 Gray M07 0.4040 -0.7335 acceptable 0/ 20 0.1091 0.1429 5.0381 1.9880 2.3637 CLUSPRO M03 0.3714 -0.8474 incorrect 0/ 20 0.0545 0.0000 4.5278 2.4002 2.8600 CLUSPRO M04 0.3712 -0.8483 incorrect 0/ 20 0.0545 0.0000 4.5323 2.4029 2.8648 Huang M08 0.3526 -0.9134 acceptable 0/ 20 0.1091 0.1429 5.9870 2.4035 2.8369 Huang M07 0.3524 -0.9142 acceptable 0/ 20 0.1091 0.1429 5.9913 2.4056 2.8387 Gray M02 0.3512 -0.9184 incorrect 0/ 20 0.0727 0.0000 5.1943 2.5797 2.8656 Gray M05 0.3446 -0.9415 incorrect 2/ 20 0.0727 0.0000 5.7557 2.4332 2.7757 Gray M06 0.3437 -0.9444 acceptable 4/ 20 0.1091 0.1429 6.0881 2.5229 2.8618 Gray M01 0.3205 -1.0259 incorrect 0/ 20 0.0727 0.2000 6.2664 2.6634 2.9559 Gray M03 0.3164 -1.0401 acceptable 2/ 20 0.1091 0.1429 6.8816 2.6982 3.1101 Huang M03 0.2865 -1.1450 incorrect 0/ 20 0.0727 0.2000 6.6333 3.3725 4.0683 Gray M04 0.2724 -1.1942 acceptable 0/ 20 0.1091 0.1429 8.0745 3.1756 3.4639 S.Kihara M06 0.2691 -1.2056 acceptable 6/ 20 0.3818 0.3226 15.7126 3.0072 3.9990 Eisenstein M03 0.2470 -1.2831 incorrect 0/ 20 0.0364 0.0000 7.5095 3.6721 4.0514 Vajda,Kozakov M04 0.2445 -1.2919 incorrect 1/ 20 0.0545 0.5000 8.0073 3.5823 3.9550 Grudinin M07 0.2228 -1.3678 incorrect 0/ 20 0.0000 nan 7.7157 4.0587 4.3084 CLUSPRO M06 0.2187 -1.3823 incorrect 0/ 20 0.0364 0.3333 8.5303 4.0359 4.4532 CLUSPRO M07 0.2186 -1.3827 incorrect 0/ 20 0.0364 0.3333 8.5272 4.0455 4.4594 Eisenstein M02 0.1987 -1.4523 incorrect 0/ 20 0.0364 0.3333 9.6773 3.9849 4.4071 CLUSPRO M08 0.1700 -1.5526 incorrect 0/ 20 0.0364 0.5000 10.5123 5.1432 5.5121 Grudinin M10 0.1684 -1.5582 incorrect 1/ 20 0.0364 0.3333 10.9191 4.7233 5.3632 CLUSPRO M10 0.1684 -1.5583 incorrect 0/ 20 0.0364 0.5000 10.6171 5.1485 5.4879 Vajda,Kozakov M10 0.1596 -1.5893 incorrect 0/ 20 0.0364 0.3333 11.1742 5.2396 5.5041 Vajda,Kozakov M05 0.1595 -1.5895 incorrect 0/ 20 0.0364 0.3333 11.1754 5.2437 5.5034 Grudinin M05 0.1294 -1.6951 incorrect 0/ 20 0.0000 1.0000 12.0168 6.2434 6.7534 Huang M06 0.1283 -1.6987 incorrect 0/ 20 0.0000 1.0000 12.2655 5.9110 6.7889 Huang M05 0.1283 -1.6988 incorrect 0/ 20 0.0000 1.0000 12.2667 5.9120 6.7898 Zacharias M10 0.1276 -1.7010 incorrect 0/ 20 0.0000 1.0000 12.8975 5.0821 5.6704 Grudinin M06 0.1231 -1.7170 incorrect 0/ 20 0.0182 0.0000 13.1391 6.1577 6.7783 Grudinin M08 0.1188 -1.7321 incorrect 0/ 20 0.0000 1.0000 13.0076 6.0948 6.4876 Grudinin M01 0.1088 -1.7670 incorrect 0/ 20 0.0000 nan 13.7714 6.4986 6.9302 Vajda,Kozakov M09 0.1083 -1.7688 incorrect 5/ 20 0.0000 1.0000 13.3959 7.5654 7.9622 Vajda,Kozakov M08 0.1082 -1.7691 incorrect 7/ 20 0.0000 1.0000 13.3996 7.5843 7.9791 Grudinin M09 0.1066 -1.7746 incorrect 1/ 20 0.0000 1.0000 14.1796 6.1840 6.7114 Huang M10 0.1066 -1.7746 incorrect 0/ 20 0.0000 nan 13.9191 6.6617 7.0929 Huang M09 0.1066 -1.7748 incorrect 0/ 20 0.0000 nan 13.9221 6.6638 7.0949 S.Kihara M03 0.1036 -1.7851 incorrect 0/ 20 0.0000 1.0000 13.7325 8.0038 8.5530 S.Kihara M08 0.0996 -1.7991 incorrect 0/ 20 0.0000 1.0000 14.0889 8.2410 8.7733 Gray M08 0.0886 -1.8377 incorrect 0/ 20 0.0000 nan 15.6799 7.4775 7.8821 DelCarpio M09 0.0403 -2.0067 incorrect 2/ 20 0.0000 1.0000 24.9240 11.4674 11.8303 S.Kihara M04 0.0343 -2.0280 incorrect 12/ 20 0.0000 1.0000 26.9513 13.4210 14.0543 Ritchie M07 0.0332 -2.0318 incorrect 10/ 20 0.0000 1.0000 27.3433 13.9699 14.2614 S.Kihara M10 0.0325 -2.0341 incorrect 0/ 20 0.0000 nan 27.7020 13.8930 13.9843 GRAMM-X M01 0.0319 -2.0362 clashes,incorrect 29/ 20 0.0000 1.0000 29.1758 11.2235 11.5921 Eisenstein M04 0.0319 -2.0363 incorrect 13/ 20 0.0000 1.0000 27.1750 18.5215 18.7304 DelCarpio M10 0.0313 -2.0385 incorrect 10/ 20 0.0000 1.0000 28.8473 12.6274 13.1488 Moal M09 0.0299 -2.0434 incorrect 20/ 20 0.0000 1.0000 28.2459 18.4262 18.6973 DelCarpio M08 0.0295 -2.0446 incorrect 0/ 20 0.0000 1.0000 28.4659 18.3238 19.1048 Moal M10 0.0295 -2.0448 incorrect 19/ 20 0.0000 1.0000 28.4589 18.5594 18.9344 Moal M06 0.0273 -2.0524 incorrect 0/ 20 0.0000 1.0000 29.0961 26.4016 27.2427 Moal M01 0.0264 -2.0554 incorrect 0/ 20 0.0000 1.0000 29.6185 26.4453 27.3544 S.Kihara M09 0.0243 -2.0630 incorrect 10/ 20 0.0000 1.0000 32.7953 15.0585 15.7414 Ritchie M08 0.0241 -2.0637 incorrect 6/ 20 0.0000 1.0000 31.8587 19.8086 20.4695 Moal M03 0.0225 -2.0692 incorrect 0/ 20 0.0000 1.0000 32.3879 27.2827 27.8277 Moal M02 0.0223 -2.0698 incorrect 1/ 20 0.0000 1.0000 32.5403 27.0875 27.6413 Huang M02 0.0219 -2.0712 incorrect 18/ 20 0.0000 1.0000 34.5978 15.8839 16.0705 DelCarpio M06 0.0215 -2.0725 incorrect 0/ 20 0.0000 1.0000 34.1463 18.8725 20.0785 Moal M04 0.0214 -2.0731 incorrect 0/ 20 0.0000 nan 33.1980 29.4528 30.0693 Ritchie M01 0.0212 -2.0739 incorrect 12/ 20 0.0000 1.0000 37.4841 12.3302 12.6687 Moal M05 0.0211 -2.0740 incorrect 0/ 20 0.0000 1.0000 33.4263 28.9911 29.5067 Ritchie M02 0.0210 -2.0744 incorrect 15/ 20 0.0000 1.0000 37.6642 12.3444 12.6559 Ritchie M03 0.0210 -2.0744 incorrect 9/ 20 0.0000 1.0000 37.6958 12.3175 12.6886 GRAMM-X M05 0.0210 -2.0746 incorrect 15/ 20 0.0000 1.0000 34.6462 19.1424 19.8737 Moal M07 0.0198 -2.0785 incorrect 0/ 20 0.0000 nan 34.5636 30.1095 30.6981 DelCarpio M04 0.0197 -2.0789 incorrect 20/ 20 0.0000 1.0000 36.0424 18.5860 19.2588 DelCarpio M01 0.0188 -2.0821 incorrect 0/ 20 0.0000 1.0000 36.0191 24.8041 25.5184 Ritchie M09 0.0187 -2.0826 clashes,incorrect 23/ 20 0.0182 0.9844 51.3795 14.1107 15.0389 Ritchie M10 0.0186 -2.0827 incorrect 13/ 20 0.0182 0.9750 51.5463 14.0940 14.9335 DelCarpio M05 0.0186 -2.0828 incorrect 0/ 20 0.0000 nan 36.2091 25.0838 25.7831 DelCarpio M03 0.0186 -2.0828 incorrect 0/ 20 0.0000 nan 36.2091 25.0838 25.7831 Ritchie M04 0.0173 -2.0873 incorrect 13/ 20 0.0000 1.0000 42.6001 12.7499 13.1476 Ritchie M06 0.0172 -2.0878 incorrect 11/ 20 0.0000 1.0000 42.8143 12.7636 13.1420 Ritchie M05 0.0171 -2.0881 incorrect 10/ 20 0.0000 1.0000 42.9658 12.7644 13.1403 DelCarpio M02 0.0148 -2.0962 incorrect 10/ 20 0.0000 1.0000 43.9355 16.4647 17.3328 GRAMM-X M07 0.0143 -2.0977 incorrect 15/ 20 0.0000 1.0000 48.2588 13.1010 13.6709 S.Kihara M01 0.0139 -2.0992 incorrect 18/ 20 0.0000 1.0000 48.9275 13.3497 14.3790 GRAMM-X M02 0.0134 -2.1011 clashes,incorrect 29/ 20 0.0000 1.0000 55.4244 11.3355 11.6253 Moal M08 0.0131 -2.1021 incorrect 0/ 20 0.0000 1.0000 43.7565 27.5315 28.0777 GRAMM-X M03 0.0124 -2.1045 incorrect 15/ 20 0.0000 1.0000 54.0961 13.0090 13.6148 DelCarpio M07 0.0123 -2.1050 incorrect 10/ 20 0.0000 1.0000 55.7702 12.5534 13.9176 GRAMM-X M06 0.0117 -2.1072 clashes,incorrect 23/ 20 0.0000 1.0000 47.8189 22.7597 22.7847 S.Kihara M07 0.0099 -2.1133 incorrect 11/ 20 0.0000 1.0000 55.0635 18.6153 19.4806 GRAMM-X M10 0.0098 -2.1135 incorrect 8/ 20 0.0000 1.0000 52.9684 22.6224 22.8913 S.Kihara M02 0.0086 -2.1177 incorrect 0/ 20 0.0000 nan 57.3344 22.5830 23.4357 GRAMM-X M09 0.0074 -2.1220 clashes,incorrect 27/ 20 0.0000 1.0000 69.7832 17.0775 17.6986 GRAMM-X M08 0.0066 -2.1248 incorrect 12/ 20 0.0000 1.0000 63.8131 30.3073 30.0718 GRAMM-X M04 0.0061 -2.1267 incorrect 15/ 20 0.0000 1.0000 76.7376 19.1893 19.9001

Target: T119.1

Group Model DockQ Zscore Classification nclash fnat fnonnat lrmsd irmsdbb irmsdsc Venclovas M01 0.5787 1.5330 medium 27/ 81 0.6667 0.3922 4.3988 2.4009 3.5584 Venclovas M02 0.5754 1.5176 acceptable 61/ 81 0.7087 0.4895 5.2835 2.3118 3.4585 S.Vakser M03 0.5727 1.5050 clashes,medium 167/ 81 0.6117 0.5935 3.9206 2.3942 3.3926 Vakser M01 0.5510 1.4040 acceptable 40/ 81 0.6216 0.4926 5.1509 2.2917 3.8312 Vakser M05 0.5487 1.3937 medium 81/ 81 0.4865 0.7416 4.3050 1.9832 3.2940 HADDOCK M02 0.5444 1.3734 acceptable 12/ 81 0.8571 0.7209 7.0517 3.1621 4.3290 Vajda,Kozakov M01 0.5436 1.3698 medium 8/ 81 0.5882 0.5714 4.4222 2.5595 3.9466 CLUSPRO M04 0.5436 1.3698 medium 8/ 81 0.5882 0.5714 4.4222 2.5595 3.9466 Iwadate M01 0.5398 1.3520 medium 30/ 81 0.6849 0.3151 4.8797 3.1770 4.5921 S.Oliva M01 0.5389 1.3480 acceptable 2/ 81 0.7500 0.4474 6.4685 2.7181 4.3856 HADDOCK M10 0.5389 1.3480 acceptable 2/ 81 0.7500 0.4474 6.4685 2.7181 4.3856 S.LZERD M02 0.5373 1.3404 acceptable 31/ 81 0.7312 0.4603 5.8254 2.9978 3.9697 S.Huang M01 0.5289 1.3013 acceptable 60/ 81 0.7957 0.5375 6.8446 3.1560 4.1272 S.Bonvin M02 0.5228 1.2731 acceptable 46/ 81 0.7634 0.5035 6.7183 3.1023 4.0924 S.Zou M02 0.5195 1.2580 acceptable 29/ 81 0.7634 0.4855 6.7587 3.1737 4.0796 Zou M04 0.5193 1.2568 acceptable 29/ 81 0.7634 0.4855 6.7674 3.1756 4.0909 S.SWARMDOCK M04 0.5193 1.2568 acceptable 29/ 81 0.7634 0.4855 6.7674 3.1756 4.0909 S.Negi M09 0.5193 1.2568 acceptable 29/ 81 0.7634 0.4855 6.7674 3.1756 4.0909 S.Zou M06 0.5186 1.2536 acceptable 31/ 81 0.7419 0.4926 6.5333 3.1458 4.1281 S.Chang M09 0.5185 1.2532 acceptable 19/ 81 0.7857 0.7528 7.1300 3.1713 4.2309 HADDOCK M01 0.5185 1.2532 acceptable 19/ 81 0.7857 0.7528 7.1300 3.1713 4.2309 Zou M03 0.5149 1.2366 acceptable 42/ 81 0.7419 0.5071 6.7268 3.1174 4.0981 S.SWARMDOCK M02 0.5149 1.2366 acceptable 42/ 81 0.7419 0.5071 6.7268 3.1174 4.0981 S.Negi M02 0.5149 1.2366 acceptable 42/ 81 0.7419 0.5071 6.7268 3.1174 4.0981 Zou M09 0.5146 1.2352 acceptable 31/ 81 0.7312 0.4925 6.5518 3.1443 4.1070 S.SWARMDOCK M09 0.5146 1.2352 acceptable 31/ 81 0.7312 0.4925 6.5518 3.1443 4.1070 S.Negi M10 0.5146 1.2352 acceptable 31/ 81 0.7312 0.4925 6.5518 3.1443 4.1070 S.Zou M01 0.5146 1.2351 acceptable 47/ 81 0.7419 0.5141 6.7249 3.1290 4.1112 S.Grudinin M01 0.5122 1.2238 acceptable 27/ 81 0.7527 0.4853 6.8929 3.1954 4.1510 Zou M01 0.5113 1.2199 acceptable 39/ 81 0.7312 0.5072 6.5193 3.2774 4.3644 S.SWARMDOCK M08 0.5113 1.2199 acceptable 39/ 81 0.7312 0.5072 6.5193 3.2774 4.3644 S.Negi M03 0.5113 1.2199 acceptable 39/ 81 0.7312 0.5072 6.5193 3.2774 4.3644 Vakser M02 0.5103 1.2153 medium 72/ 81 0.4505 0.6350 4.2508 2.4019 4.2257 S.LZERD M06 0.5094 1.2108 acceptable 17/ 81 0.6774 0.3700 6.3922 2.8920 3.6943 Zou M05 0.5092 1.2099 acceptable 28/ 81 0.7419 0.4851 6.8501 3.2083 4.2401 S.SWARMDOCK M07 0.5092 1.2099 acceptable 28/ 81 0.7419 0.4851 6.8501 3.2083 4.2401 S.Negi M07 0.5092 1.2099 acceptable 28/ 81 0.7419 0.4851 6.8501 3.2083 4.2401 S.Chang M02 0.5092 1.2099 acceptable 28/ 81 0.7419 0.4851 6.8501 3.2083 4.2401 S.Bonvin M03 0.5080 1.2046 acceptable 37/ 81 0.7312 0.4925 6.6641 3.2729 4.2771 S.Zou M05 0.5073 1.2014 acceptable 38/ 81 0.7204 0.5180 6.5072 3.3010 4.3739 Zou M07 0.5058 1.1942 acceptable 32/ 81 0.7097 0.4677 6.6286 3.1393 4.0108 S.SWARMDOCK M10 0.5058 1.1942 acceptable 32/ 81 0.7097 0.4677 6.6286 3.1393 4.0108 S.Negi M05 0.5058 1.1942 acceptable 32/ 81 0.7097 0.4677 6.6286 3.1393 4.0108 Venclovas M03 0.5057 1.1935 acceptable 19/ 81 0.6796 0.4964 6.4061 3.0036 4.3363 S.Venclovas M07 0.5056 1.1932 acceptable 12/ 81 0.5766 0.4576 5.5715 2.6644 3.6478 S.Chang M01 0.5045 1.1881 acceptable 13/ 81 0.6505 0.5248 6.1155 2.9626 4.2387 Seok M06 0.5045 1.1881 acceptable 13/ 81 0.6505 0.5248 6.1156 2.9626 4.2387 S.Moal M02 0.5017 1.1752 acceptable 34/ 81 0.6505 0.5533 6.1400 3.0237 4.2424 S.Venclovas M02 0.5008 1.1708 acceptable 17/ 81 0.6216 0.5208 5.8317 2.9931 3.8610 Seok M01 0.5008 1.1708 acceptable 17/ 81 0.6216 0.5208 5.8317 2.9931 3.8610 S.Chang M05 0.5008 1.1708 acceptable 17/ 81 0.6216 0.5208 5.8317 2.9931 3.8610 S.Zou M04 0.5002 1.1684 acceptable 29/ 81 0.7097 0.5038 6.6688 3.2907 4.2874 S.Grudinin M02 0.4995 1.1650 acceptable 28/ 81 0.5946 0.4762 5.6992 2.8739 3.8548 S.Zou M08 0.4983 1.1592 acceptable 31/ 81 0.6882 0.4880 6.6203 3.1572 4.0120 S.Weng M02 0.4970 1.1535 acceptable 18/ 81 0.6882 0.5000 6.7268 3.1174 4.1218 Zou M02 0.4968 1.1522 acceptable 33/ 81 0.6989 0.5038 6.6775 3.2795 4.2829 S.SWARMDOCK M05 0.4968 1.1522 acceptable 33/ 81 0.6989 0.5038 6.6775 3.2795 4.2829 S.Negi M08 0.4968 1.1522 acceptable 33/ 81 0.6989 0.5038 6.6775 3.2795 4.2829 S.Venclovas M01 0.4965 1.1511 acceptable 21/ 81 0.6396 0.4034 6.3959 2.8966 3.8241 Grudinin M03 0.4965 1.1511 acceptable 21/ 81 0.6396 0.4034 6.3959 2.8966 3.8241 Venclovas M05 0.4962 1.1495 acceptable 34/ 81 0.6602 0.4769 6.4754 3.0424 4.2369 Zou M06 0.4962 1.1494 acceptable 32/ 81 0.6989 0.4961 6.7420 3.2487 4.2487 S.Zou M07 0.4943 1.1409 acceptable 36/ 81 0.6989 0.5000 6.7892 3.2730 4.3375 S.Zou M10 0.4940 1.1393 acceptable 30/ 81 0.6214 0.5524 6.1304 2.9745 4.2042 S.Oliva M10 0.4934 1.1366 acceptable 18/ 81 0.6429 0.7500 6.2346 3.1264 4.4310 S.LZERD M07 0.4926 1.1327 acceptable 27/ 81 0.6667 0.5407 6.6630 3.0810 4.1257 HADDOCK M04 0.4924 1.1321 acceptable 15/ 81 0.6429 0.7692 6.2093 3.1764 4.4526 S.Zou M09 0.4924 1.1318 acceptable 32/ 81 0.6882 0.4921 6.7276 3.2677 4.2555 Takeda-Shitaka M04 0.4915 1.1277 acceptable 27/ 81 0.6173 0.5968 6.2764 2.9093 4.2924 S.SWARMDOCK M06 0.4914 1.1274 acceptable 32/ 81 0.6882 0.5039 6.7828 3.2554 4.3308 S.Negi M06 0.4914 1.1274 acceptable 32/ 81 0.6882 0.5039 6.7828 3.2554 4.3308 Zou M08 0.4914 1.1274 acceptable 32/ 81 0.6882 0.5039 6.7828 3.2555 4.3308 Takeda-Shitaka M10 0.4913 1.1269 acceptable 22/ 81 0.6049 0.6288 6.0225 2.9697 4.5007 S.Huang M03 0.4899 1.1203 acceptable 54/ 81 0.7097 0.5926 7.0502 3.3435 4.3435 Weng M09 0.4898 1.1198 clashes,acceptable 85/ 81 0.6216 0.5633 6.0984 3.1214 4.3121 Takeda-Shitaka M07 0.4857 1.1008 acceptable 36/ 81 0.5926 0.6308 6.1078 2.9541 4.4789 Zacharias M05 0.4856 1.1004 acceptable 17/ 81 0.6667 0.4206 6.9893 3.0620 4.4889 S.Moal M05 0.4851 1.0980 acceptable 25/ 81 0.6577 0.4786 6.8746 3.0668 3.9411 Venclovas M06 0.4849 1.0971 acceptable 18/ 81 0.5806 0.2895 5.1361 3.6939 4.8579 Fernandez-Recio M01 0.4837 1.0914 acceptable 6/ 81 0.6071 0.7901 6.3455 2.9832 4.2635 Takeda-Shitaka M06 0.4831 1.0889 acceptable 27/ 81 0.5926 0.6066 6.1943 2.9662 4.4194 Zacharias M09 0.4828 1.0875 acceptable 18/ 81 0.6129 0.4865 6.5856 2.9029 4.2975 Zacharias M07 0.4828 1.0875 acceptable 18/ 81 0.6129 0.4865 6.5856 2.9029 4.2975 S.Venclovas M09 0.4810 1.0789 acceptable 18/ 81 0.6306 0.4262 6.7816 2.9876 3.9236 S.Vakser M06 0.4810 1.0789 acceptable 18/ 81 0.6306 0.4262 6.7816 2.9876 3.9236 S.LZERD M01 0.4809 1.0784 acceptable 9/ 81 0.8214 0.6167 10.0139 2.9775 3.7220 Takeda-Shitaka M05 0.4806 1.0769 acceptable 43/ 81 0.5679 0.6349 5.9484 2.9766 4.6394 Takeda-Shitaka M03 0.4756 1.0539 acceptable 38/ 81 0.5679 0.6167 6.1333 2.9879 4.3951 Grudinin M09 0.4752 1.0520 acceptable 2/ 81 0.5243 0.4808 5.4060 3.1045 4.2532 Guerois M02 0.4751 1.0514 acceptable 22/ 81 0.6129 0.4242 7.0093 2.8487 3.7857 S.Zou M03 0.4745 1.0488 acceptable 43/ 81 0.6452 0.6000 6.8229 3.3125 4.3233 Zou M10 0.4745 1.0486 acceptable 42/ 81 0.6452 0.5973 6.8330 3.3059 4.3166 S.Venclovas M08 0.4745 1.0486 acceptable 42/ 81 0.6452 0.5973 6.8331 3.3059 4.3166 S.SWARMDOCK M01 0.4745 1.0486 acceptable 42/ 81 0.6452 0.5973 6.8331 3.3059 4.3166 S.Negi M04 0.4745 1.0486 acceptable 42/ 81 0.6452 0.5973 6.8331 3.3059 4.3166 S.Vakser M01 0.4741 1.0469 clashes,acceptable 121/ 81 0.6117 0.6337 6.6696 3.0806 3.9642 S.Grudinin M10 0.4736 1.0444 acceptable 2/ 81 0.5243 0.4808 5.4615 3.1116 4.2607 Takeda-Shitaka M08 0.4720 1.0371 acceptable 25/ 81 0.5556 0.6218 6.1445 2.9670 4.4632 S.Oliva M09 0.4719 1.0366 acceptable 3/ 81 0.5357 0.7581 5.7519 3.0573 3.9627 Takeda-Shitaka M09 0.4712 1.0337 acceptable 43/ 81 0.5679 0.6541 6.3153 2.9859 4.5185 Seok M08 0.4706 1.0307 acceptable 13/ 81 0.6408 0.5319 7.1200 3.1656 4.4190 S.Bonvin M01 0.4680 1.0185 acceptable 43/ 81 0.6237 0.6054 6.8207 3.2917 4.3102 S.Grudinin M04 0.4677 1.0170 acceptable 9/ 81 0.6036 0.5379 7.0718 2.9232 3.9242 S.Venclovas M03 0.4668 1.0130 acceptable 10/ 81 0.6036 0.5379 7.1065 2.9251 3.9277 S.Chang M07 0.4668 1.0130 acceptable 10/ 81 0.6036 0.5379 7.1065 2.9251 3.9277 Grudinin M01 0.4668 1.0130 acceptable 10/ 81 0.6036 0.5379 7.1065 2.9251 3.9277 HADDOCK M09 0.4638 0.9990 acceptable 7/ 81 0.6429 0.6400 7.5844 3.0800 4.8675 Venclovas M09 0.4633 0.9969 clashes,acceptable 173/ 81 0.5315 0.6266 6.1112 3.0072 4.7046 Vakser M08 0.4615 0.9883 acceptable 45/ 81 0.6577 0.6033 7.7642 3.1848 4.1568 Takeda-Shitaka M02 0.4614 0.9877 acceptable 42/ 81 0.5432 0.6535 6.3975 2.9768 4.6164 S.Huang M04 0.4599 0.9808 acceptable 33/ 81 0.5534 0.4771 5.8624 3.5914 4.9767 Venclovas M08 0.4598 0.9805 acceptable 21/ 81 0.5699 0.4111 5.6757 4.1037 5.1059 LZERD M04 0.4596 0.9797 acceptable 9/ 81 0.6786 0.6935 7.9927 3.3201 4.5021 Kihara M04 0.4596 0.9797 acceptable 9/ 81 0.6786 0.6935 7.9927 3.3201 4.5021 S.LZERD M04 0.4575 0.9697 acceptable 7/ 81 0.5000 0.7255 5.8958 3.0259 3.8940 S.Oliva M04 0.4574 0.9692 acceptable 3/ 81 0.5000 0.7455 5.9015 3.0251 3.9181 S.Seok M10 0.4571 0.9678 acceptable 17/ 81 0.5946 0.5000 7.2459 3.0241 4.0409 Zacharias M04 0.4535 0.9511 acceptable 18/ 81 0.6022 0.4105 7.5354 3.0163 4.3663 SWARMDOCK M10 0.4527 0.9474 acceptable 47/ 81 0.5432 0.5963 6.3158 3.3082 4.5974 HADDOCK M06 0.4518 0.9434 acceptable 10/ 81 0.7143 0.7222 8.7116 3.5239 4.8918 Venclovas M04 0.4498 0.9339 acceptable 74/ 81 0.5225 0.5606 7.0711 2.7004 3.7268 S.Moal M03 0.4489 0.9300 acceptable 23/ 81 0.6577 0.5000 8.1020 3.3729 4.2106 S.Oliva M07 0.4482 0.9266 acceptable 1/ 81 0.4286 0.7736 5.3321 3.0156 3.9066 Iwadate M04 0.4481 0.9262 acceptable 42/ 81 0.5225 0.5043 6.1188 3.3974 4.8652 LZERD M01 0.4475 0.9234 acceptable 11/ 81 0.6429 0.7049 7.9952 3.3257 4.4511 Kihara M01 0.4475 0.9234 acceptable 11/ 81 0.6429 0.7049 7.9952 3.3257 4.4511 LZERD M05 0.4474 0.9229 acceptable 9/ 81 0.6429 0.7097 8.0015 3.3250 4.4737 Kihara M05 0.4474 0.9229 acceptable 9/ 81 0.6429 0.7097 8.0015 3.3250 4.4737 S.LZERD M03 0.4469 0.9206 acceptable 17/ 81 0.5591 0.4222 6.6195 3.4478 4.6436 Seok M09 0.4459 0.9159 acceptable 16/ 81 0.5922 0.5271 7.1296 3.4564 4.6216 Seok M07 0.4427 0.9010 acceptable 12/ 81 0.5049 0.4851 5.9321 3.5614 4.9615 S.Vakser M08 0.4417 0.8965 clashes,acceptable 93/ 81 0.5495 0.6187 6.9657 3.2298 4.1650 Seok M03 0.4417 0.8965 clashes,acceptable 93/ 81 0.5495 0.6187 6.9657 3.2298 4.1650 Takeda-Shitaka M01 0.4388 0.8832 acceptable 29/ 81 0.5309 0.5981 6.9535 3.1321 4.8705 Shen M01 0.4384 0.8811 acceptable 9/ 81 0.4234 0.5913 5.9674 2.8087 4.1331 Zacharias M06 0.4364 0.8719 acceptable 20/ 81 0.5806 0.4316 7.5723 3.3016 4.6693 S.Vakser M09 0.4358 0.8690 clashes,acceptable 84/ 81 0.3495 0.6667 5.9220 2.3779 3.4178 LZERD M02 0.4355 0.8677 acceptable 11/ 81 0.6071 0.7167 7.9978 3.3261 4.4932 Kihara M02 0.4355 0.8677 acceptable 11/ 81 0.6071 0.7167 7.9978 3.3261 4.4932 LZERD M03 0.4355 0.8676 acceptable 6/ 81 0.6071 0.7302 7.9965 3.3276 4.5904 Kihara M03 0.4355 0.8676 acceptable 6/ 81 0.6071 0.7302 7.9965 3.3276 4.5904 S.Oliva M06 0.4340 0.8605 acceptable 3/ 81 0.4286 0.7647 5.8646 3.0401 3.9531 Guerois M01 0.4321 0.8519 acceptable 30/ 81 0.6344 0.5354 8.2787 3.5886 4.5925 Venclovas M10 0.4318 0.8504 acceptable 20/ 81 0.4839 0.4828 6.2208 3.4336 4.7523 S.Chang M10 0.4311 0.8473 acceptable 7/ 81 0.5946 0.4590 8.0086 3.3255 4.2070 Guerois M03 0.4311 0.8473 acceptable 18/ 81 0.5054 0.4778 6.9301 3.1252 3.9506 S.SWARMDOCK M03 0.4294 0.8394 acceptable 32/ 81 0.5385 0.6847 7.4695 3.1431 4.3575 S.Negi M01 0.4294 0.8394 acceptable 32/ 81 0.5385 0.6847 7.4695 3.1431 4.3575 S.Chang M04 0.4294 0.8394 acceptable 32/ 81 0.5385 0.6847 7.4695 3.1431 4.3575 Negi M01 0.4294 0.8394 acceptable 32/ 81 0.5385 0.6847 7.4695 3.1431 4.3575 S.Bonvin M09 0.4287 0.8358 acceptable 22/ 81 0.5045 0.4286 6.6318 3.4388 4.7985 Seok M02 0.4287 0.8358 acceptable 22/ 81 0.5045 0.4286 6.6319 3.4388 4.7985 HADDOCK M03 0.4282 0.8337 acceptable 10/ 81 0.6071 0.7821 8.0730 3.5464 4.7790 S.Grudinin M09 0.4279 0.8324 acceptable 7/ 81 0.6429 0.7188 8.7312 3.5120 4.8027 Seok M05 0.4257 0.8220 acceptable 58/ 81 0.4955 0.5378 6.8496 3.2545 4.0858 S.Oliva M08 0.4251 0.8191 acceptable 6/ 81 0.4643 0.5806 7.5209 2.5982 3.4640 S.Bonvin M04 0.4249 0.8184 acceptable 28/ 81 0.5231 0.6881 7.4607 3.1302 4.3588 SWARMDOCK M05 0.4235 0.8121 acceptable 12/ 81 0.5556 0.5755 7.5572 3.4824 4.7272 SWARMDOCK M08 0.4226 0.8079 acceptable 17/ 81 0.5556 0.5833 7.5753 3.5026 4.7292 S.Seok M06 0.4225 0.8070 acceptable 1/ 81 0.5357 0.5312 8.3901 2.7826 3.9291 S.Oliva M05 0.4221 0.8056 acceptable 3/ 81 0.3929 0.7800 5.9249 2.9953 3.8772 Gray M08 0.4210 0.8004 acceptable 8/ 81 0.6429 0.6538 10.0105 2.9885 3.8180 SWARMDOCK M06 0.4198 0.7946 acceptable 16/ 81 0.5432 0.6207 7.5380 3.4840 4.7885 Guerois M07 0.4195 0.7932 acceptable 8/ 81 0.4624 0.5612 6.8227 3.1187 4.0762 Seok M10 0.4189 0.7906 acceptable 11/ 81 0.4660 0.5752 6.6062 3.3462 4.8731 Weng M06 0.4166 0.7796 acceptable 12/ 81 0.4234 0.5392 6.2850 3.2045 4.5159 DelCarpio M02 0.4162 0.7781 clashes,acceptable 106/ 81 0.4938 0.6262 7.3680 3.1600 4.5302 SWARMDOCK M09 0.4162 0.7780 acceptable 14/ 81 0.4321 0.6569 6.2553 3.3404 4.6829 Vakser M09 0.4151 0.7730 acceptable 31/ 81 0.5856 0.5455 8.2996 3.6011 4.8120 S.Seok M04 0.4110 0.7540 acceptable 4/ 81 0.3929 0.7381 6.2212 3.1071 4.1387 Vakser M10 0.4110 0.7537 acceptable 26/ 81 0.4505 0.6000 6.8423 3.2500 4.4730 SWARMDOCK M04 0.4104 0.7509 acceptable 13/ 81 0.5679 0.6198 8.1115 3.7202 5.1061 Gray M09 0.4104 0.7509 acceptable 8/ 81 0.6071 0.6383 9.9196 2.9944 3.7760 Venclovas M07 0.4094 0.7463 acceptable 33/ 81 0.3784 0.6557 6.1644 3.0536 4.5742 S.Venclovas M10 0.4089 0.7440 acceptable 13/ 81 0.2793 0.6702 5.6985 2.5474 3.7024 Vakser M06 0.4076 0.7378 clashes,acceptable 433/ 81 0.5766 0.8443 8.6750 3.4855 4.9279 Gray M10 0.4065 0.7330 acceptable 4/ 81 0.6071 0.5854 10.0501 3.0432 3.8184 S.Moal M08 0.4060 0.7307 acceptable 20/ 81 0.4144 0.6167 6.8963 2.9944 4.0236 S.Oliva M03 0.4060 0.7305 acceptable 2/ 81 0.4643 0.6286 7.8446 2.8781 3.6927 Wallner M03 0.4033 0.7181 acceptable 25/ 81 0.4865 0.5610 7.7062 3.2615 4.3358 SWARMDOCK M07 0.4028 0.7157 acceptable 12/ 81 0.5062 0.6095 7.6233 3.5997 4.8209 Wallner M02 0.4027 0.7153 acceptable 24/ 81 0.4324 0.5636 7.1793 3.0766 4.2192 Zacharias M01 0.4022 0.7130 acceptable 24/ 81 0.5376 0.5455 8.3735 3.4172 4.8459 Shen M07 0.4021 0.7124 acceptable 22/ 81 0.3784 0.6794 5.8315 3.6004 4.6383 SWARMDOCK M01 0.4019 0.7117 acceptable 18/ 81 0.5062 0.6667 7.6804 3.5836 4.9280 DelCarpio M03 0.4003 0.7042 acceptable 23/ 81 0.4545 0.6759 7.3635 3.2551 4.5423 S.LZERD M08 0.4002 0.7035 acceptable 6/ 81 0.5000 0.6957 8.1785 3.1880 3.9669 SWARMDOCK M03 0.4000 0.7027 acceptable 17/ 81 0.4938 0.6748 7.5345 3.6251 4.8833 S.Venclovas M04 0.3995 0.7006 acceptable 14/ 81 0.2883 0.6893 5.9503 2.6753 3.7932 S.Vakser M07 0.3995 0.7006 acceptable 14/ 81 0.2883 0.6893 5.9503 2.6753 3.7932 Grudinin M07 0.3995 0.7006 acceptable 14/ 81 0.2883 0.6893 5.9503 2.6753 3.7932 S.Oliva M02 0.3995 0.7004 acceptable 2/ 81 0.3929 0.5926 7.3755 2.7054 3.5485 S.Grudinin M07 0.3995 0.7002 acceptable 11/ 81 0.4769 0.6667 7.8249 3.1994 4.3233 Grudinin M08 0.3923 0.6670 acceptable 15/ 81 0.3694 0.5816 6.8872 2.9643 3.9485 Seok M04 0.3915 0.6634 acceptable 71/ 81 0.4505 0.6296 7.3673 3.5282 4.5094 SWARMDOCK M02 0.3891 0.6523 acceptable 15/ 81 0.4568 0.6783 7.4846 3.6082 4.8739 Shen M02 0.3880 0.6470 acceptable 4/ 81 0.4054 0.5794 7.4675 3.0552 4.3981 Grudinin M05 0.3870 0.6425 acceptable 12/ 81 0.4234 0.6594 7.7299 3.0937 4.1629 Shen M03 0.3855 0.6354 acceptable 25/ 81 0.3604 0.6970 6.2676 3.5944 4.6932 Iwadate M02 0.3826 0.6220 acceptable 6/ 81 0.3182 0.8056 6.1910 3.2428 4.4616 Shen M05 0.3826 0.6219 acceptable 17/ 81 0.3333 0.6917 5.9898 3.6232 4.7513 S.Venclovas M06 0.3815 0.6168 acceptable 11/ 81 0.4234 0.5648 7.8672 3.1746 4.0535 Grudinin M04 0.3815 0.6168 acceptable 11/ 81 0.4234 0.5648 7.8672 3.1746 4.0535 Iwadate M03 0.3809 0.6141 acceptable 3/ 81 0.3182 0.7500 6.2384 3.2613 4.4574 HADDOCK M05 0.3807 0.6130 acceptable 7/ 81 0.2857 0.8431 5.4811 3.5701 4.5818 S.Moal M07 0.3799 0.6095 acceptable 23/ 81 0.4144 0.5965 7.6551 3.2771 4.2347 Wallner M04 0.3784 0.6022 acceptable 18/ 81 0.4234 0.5648 7.8253 3.3093 4.4537 Gray M01 0.3764 0.5933 acceptable 10/ 81 0.5357 0.6667 10.3902 3.0703 3.8436 Guerois M04 0.3753 0.5881 acceptable 20/ 81 0.4839 0.6053 8.5136 3.6740 4.5844 Zacharias M03 0.3715 0.5705 acceptable 8/ 81 0.3978 0.5256 7.4962 3.5122 4.7905 Shen M09 0.3708 0.5671 acceptable 22/ 81 0.3423 0.7031 6.4541 3.7836 4.8182 Guerois M05 0.3673 0.5506 acceptable 6/ 81 0.4086 0.4795 8.0774 3.3419 4.3895 Shen M08 0.3667 0.5480 acceptable 18/ 81 0.3243 0.6471 6.7388 3.4148 4.6564 Wallner M01 0.3663 0.5463 acceptable 7/ 81 0.2072 0.5306 5.7404 2.9540 4.0934 Grudinin M06 0.3619 0.5259 acceptable 9/ 81 0.3604 0.5506 7.7357 3.2186 4.2008 Vajda,Kozakov M03 0.3437 0.4412 acceptable 14/ 81 0.3529 0.7391 8.2236 3.4158 4.6284 Shen M10 0.3377 0.4133 acceptable 18/ 81 0.3063 0.7018 7.5789 3.5753 4.7969 Vajda,Kozakov M02 0.3253 0.3558 incorrect 29/ 81 0.4706 0.7876 10.2700 4.5300 5.4512 CLUSPRO M07 0.3253 0.3558 incorrect 29/ 81 0.4706 0.7876 10.2700 4.5300 5.4512 Zacharias M10 0.3158 0.3114 acceptable 36/ 81 0.3441 0.5077 8.2325 4.8533 5.9171 Shen M06 0.3138 0.3024 acceptable 18/ 81 0.2523 0.6989 7.6722 3.7475 4.9117 Shen M04 0.3124 0.2958 acceptable 15/ 81 0.2613 0.7157 7.8424 3.7849 4.9753 Guerois M06 0.3036 0.2548 acceptable 8/ 81 0.3548 0.6333 9.7836 3.9552 4.8065 DelCarpio M01 0.2833 0.1607 low_id,clashes,acceptable 82/ 81 0.1724 0.8810 7.1958 4.6287 5.3254 S.Seok M07 0.2518 0.0144 incorrect 1/ 81 0.4643 0.6667 15.4103 6.0518 6.8984 S.Seok M02 0.2477 -0.0045 incorrect 1/ 81 0.4643 0.5667 16.3611 5.6243 6.4952 S.Vakser M04 0.2199 -0.1340 incorrect 27/ 81 0.2883 0.7064 12.8308 5.6297 6.2613 S.Fernandez-Recio M01 0.2196 -0.1354 incorrect 20/ 81 0.2883 0.7168 12.8531 5.6356 6.2742 Wallner M05 0.2153 -0.1551 incorrect 12/ 81 0.1982 0.7471 11.5592 4.5812 5.4360 Guerois M08 0.2124 -0.1688 incorrect 18/ 81 0.3226 0.6703 15.4481 5.0152 5.8519 Moal M05 0.1908 -0.2690 incorrect 27/ 81 0.2883 0.7064 16.1077 5.6297 6.2613 Weng M04 0.1729 -0.3521 incorrect 70/ 81 0.0811 0.9159 11.6900 4.7177 5.8412 Vajda,Kozakov M05 0.1662 -0.3833 incorrect 8/ 81 0.1765 0.8500 14.1986 6.0290 7.0325 CLUSPRO M02 0.1662 -0.3833 incorrect 8/ 81 0.1765 0.8500 14.1986 6.0290 7.0325 Chang M08 0.1611 -0.4070 incorrect 14/ 81 0.0450 0.9275 11.6690 4.7229 5.6565 S.Moal M06 0.1553 -0.4339 incorrect 16/ 81 0.1261 0.8871 13.8673 5.6096 6.7641 Vakser M04 0.1306 -0.5488 incorrect 76/ 81 0.1171 0.9110 15.6058 6.8454 7.7031 Chang M06 0.1261 -0.5695 incorrect 0/ 81 0.0270 0.9524 13.5568 5.5041 6.3994 Ritchie M06 0.1069 -0.6588 incorrect 21/ 81 0.0901 0.8980 17.2527 7.8459 8.8639 Huang M07 0.1046 -0.6695 incorrect 43/ 81 0.0631 0.9167 16.5660 7.1411 7.9830 Vajda,Kozakov M08 0.0903 -0.7360 incorrect 17/ 81 0.1373 0.9028 24.1220 9.7656 10.7870 CLUSPRO M06 0.0903 -0.7360 incorrect 17/ 81 0.1373 0.9028 24.1220 9.7656 10.7870 Gray M05 0.0874 -0.7494 incorrect 3/ 81 0.0000 1.0000 15.9921 7.1722 7.9575 Chang M05 0.0869 -0.7515 incorrect 9/ 81 0.0090 0.9848 16.6342 6.9313 7.8042 S.Kihara M05 0.0828 -0.7706 incorrect 26/ 81 0.0860 0.9216 23.2194 6.9666 7.6919 Weng M05 0.0824 -0.7725 incorrect 34/ 81 0.0541 0.9500 19.3317 8.3646 9.2724 Chang M09 0.0823 -0.7729 incorrect 6/ 81 0.0000 1.0000 16.8226 7.0242 7.9081 Chang M10 0.0759 -0.8029 incorrect 1/ 81 0.0000 1.0000 17.8511 7.0959 7.9040 Gray M06 0.0747 -0.8082 incorrect 3/ 81 0.0714 0.9375 22.3370 9.1289 9.9078 Guerois M09 0.0672 -0.8432 incorrect 11/ 81 0.0215 0.9733 20.2169 8.5497 9.4366 S.Gray M01 0.0659 -0.8492 incorrect 24/ 81 0.1429 0.9762 37.7285 18.5360 19.3266 S.LZERD M10 0.0628 -0.8635 incorrect 12/ 81 0.0357 0.9839 22.6887 8.5753 9.3580 S.Venclovas M05 0.0620 -0.8675 incorrect 28/ 81 0.0583 0.8696 24.6197 10.2225 11.1108 S.Vakser M05 0.0620 -0.8675 incorrect 13/ 81 0.0450 0.9342 23.4706 9.3811 10.4386 S.Fernandez-Recio M06 0.0616 -0.8690 incorrect 6/ 81 0.0450 0.9462 23.5412 9.4448 10.4266 S.Vakser M10 0.0589 -0.8818 incorrect 14/ 81 0.0450 0.9351 24.4109 9.6673 10.5952 Vajda,Kozakov M07 0.0581 -0.8854 incorrect 21/ 81 0.1176 0.9286 37.2006 17.7477 19.0720 CLUSPRO M05 0.0581 -0.8854 incorrect 21/ 81 0.1176 0.9286 37.2006 17.7477 19.0720 Gray M07 0.0579 -0.8862 incorrect 4/ 81 0.0000 1.0000 21.1411 7.9204 8.5038 Chang M02 0.0560 -0.8953 incorrect 6/ 81 0.0180 0.9643 22.7622 8.9159 9.9845 S.Fernandez-Recio M05 0.0559 -0.8955 incorrect 10/ 81 0.1071 0.9722 35.4188 18.9783 20.3453 Fernandez-Recio M04 0.0559 -0.8955 incorrect 10/ 81 0.1071 0.9722 35.4188 18.9783 20.3453 Fernandez-Recio M09 0.0542 -0.9036 incorrect 2/ 81 0.1071 0.9615 37.1446 19.7760 21.0440 DelCarpio M06 0.0528 -0.9098 incorrect 37/ 81 0.0000 1.0000 25.7033 5.9389 7.4430 S.Vakser M02 0.0488 -0.9284 incorrect 34/ 81 0.0541 0.9429 29.2931 12.2490 13.3005 S.Chang M03 0.0488 -0.9284 incorrect 34/ 81 0.0541 0.9429 29.2931 12.2490 13.3005 S.Fernandez-Recio M02 0.0488 -0.9287 incorrect 21/ 81 0.0541 0.9459 29.3226 12.2611 13.3210 Gray M04 0.0485 -0.9301 incorrect 4/ 81 0.0714 0.9636 32.6555 14.4961 15.7658 S.LZERD M09 0.0485 -0.9302 incorrect 3/ 81 0.0714 0.9677 32.6612 14.5036 15.7041 Moal M03 0.0483 -0.9308 incorrect 34/ 81 0.0541 0.9429 29.6068 12.2490 13.3005 Fernandez-Recio M02 0.0473 -0.9354 incorrect 7/ 81 0.0000 1.0000 23.2666 9.5156 10.3726 Gray M03 0.0471 -0.9363 incorrect 1/ 81 0.0714 0.9688 33.0482 16.7233 18.0017 S.Fernandez-Recio M07 0.0455 -0.9441 incorrect 5/ 81 0.0000 1.0000 23.4791 10.3537 11.2814 Fernandez-Recio M05 0.0455 -0.9441 incorrect 5/ 81 0.0000 1.0000 23.4791 10.3537 11.2814 S.Seok M03 0.0448 -0.9473 incorrect 2/ 81 0.0714 0.9459 35.3832 16.2879 17.3192 S.Moal M10 0.0431 -0.9552 incorrect 29/ 81 0.0000 1.0000 22.9230 16.3421 16.4318 S.Seok M05 0.0431 -0.9552 incorrect 5/ 81 0.0714 0.9655 37.2735 16.3218 17.3497 Ritchie M04 0.0429 -0.9559 incorrect 18/ 81 0.0270 0.9670 27.9312 11.4007 12.5107 S.Bonvin M06 0.0420 -0.9602 incorrect 33/ 81 0.0631 0.9346 34.9694 17.7062 19.1501 Moal M07 0.0416 -0.9621 incorrect 33/ 81 0.0631 0.9346 35.3911 17.7062 19.1525 S.Weng M08 0.0415 -0.9625 incorrect 13/ 81 0.0000 1.0000 24.1027 12.6311 14.0162 S.Gray M03 0.0408 -0.9659 incorrect 18/ 81 0.0714 0.9808 38.7908 20.9410 22.4843 S.Kihara M02 0.0404 -0.9677 incorrect 6/ 81 0.0000 1.0000 25.6691 9.9264 11.0546 Vajda,Kozakov M09 0.0398 -0.9704 incorrect 9/ 81 0.0588 0.9589 35.8273 17.4719 18.7721 CLUSPRO M08 0.0398 -0.9704 incorrect 9/ 81 0.0588 0.9589 35.8273 17.4719 18.7721 ZDOCK M05 0.0390 -0.9740 clashes,incorrect 121/ 81 0.0180 0.9747 30.3408 9.1221 9.8648 Weng M03 0.0390 -0.9740 incorrect 43/ 81 0.0180 0.9747 30.3408 9.1221 9.8317 Vajda,Kozakov M04 0.0353 -0.9911 incorrect 10/ 81 0.0588 0.9565 42.3101 16.2695 17.3240 CLUSPRO M01 0.0353 -0.9911 incorrect 10/ 81 0.0588 0.9565 42.3101 16.2695 17.3240 S.Fernandez-Recio M04 0.0351 -0.9922 incorrect 4/ 81 0.0357 0.9857 33.1760 16.6830 17.9645 Fernandez-Recio M03 0.0351 -0.9922 incorrect 4/ 81 0.0357 0.9857 33.1760 16.6830 17.9645 S.Moal M01 0.0351 -0.9924 incorrect 57/ 81 0.0541 0.9729 38.5539 21.7214 23.1010 Chang M03 0.0332 -1.0013 incorrect 10/ 81 0.0180 0.9737 30.9452 14.0162 15.2016 S.Seok M09 0.0323 -1.0055 incorrect 10/ 81 0.0357 0.9831 35.1518 19.6058 20.8248 Ritchie M07 0.0316 -1.0086 incorrect 26/ 81 0.0270 0.9735 33.8563 16.2293 17.1591 DelCarpio M07 0.0305 -1.0138 incorrect 19/ 81 0.0000 1.0000 28.1621 16.8020 18.5961 S.Grudinin M05 0.0302 -1.0152 incorrect 5/ 81 0.0000 1.0000 29.2638 13.2413 14.3635 Vajda,Kozakov M06 0.0298 -1.0170 incorrect 16/ 81 0.0392 0.9744 39.6575 18.9663 20.3073 CLUSPRO M03 0.0298 -1.0170 incorrect 16/ 81 0.0392 0.9744 39.6575 18.9663 20.3073 Fernandez-Recio M10 0.0298 -1.0170 incorrect 2/ 81 0.0357 0.9853 38.2640 18.4136 19.8223 S.Kihara M10 0.0291 -1.0200 incorrect 11/ 81 0.0000 1.0000 29.6215 14.0115 14.9560 S.Weng M01 0.0290 -1.0207 incorrect 13/ 81 0.0360 0.9811 38.6227 21.7086 23.1655 ZDOCK M06 0.0288 -1.0217 clashes,incorrect 293/ 81 0.0270 0.9867 35.9324 18.7984 19.9684 Negi M04 0.0282 -1.0243 incorrect 5/ 81 0.0000 1.0000 29.4039 17.2736 19.0161 ZDOCK M01 0.0281 -1.0248 clashes,incorrect 131/ 81 0.0270 0.9771 38.2792 14.7208 15.5456 Weng M01 0.0281 -1.0248 incorrect 54/ 81 0.0270 0.9746 38.2792 14.7208 15.6377 S.Grudinin M06 0.0281 -1.0249 incorrect 4/ 81 0.0000 1.0000 30.2505 14.1792 15.3989 S.Bonvin M10 0.0281 -1.0249 incorrect 4/ 81 0.0000 1.0000 30.2513 14.1800 15.3994 Grudinin M02 0.0281 -1.0249 incorrect 4/ 81 0.0000 1.0000 30.2513 14.1800 15.3994 ZDOCK M04 0.0276 -1.0270 clashes,incorrect 142/ 81 0.0270 0.9771 38.9209 14.6937 15.5307 S.Weng M03 0.0271 -1.0293 incorrect 21/ 81 0.0270 0.9827 37.8448 18.7535 19.7413 Moal M02 0.0270 -1.0298 incorrect 37/ 81 0.0270 0.9822 37.9865 18.7535 19.7587 ZDOCK M07 0.0256 -1.0366 clashes,incorrect 144/ 81 0.0180 0.9840 35.9478 19.7676 20.9985 Gray M02 0.0250 -1.0393 incorrect 1/ 81 0.0000 1.0000 32.0747 15.5029 16.6794 Chang M01 0.0248 -1.0399 incorrect 11/ 81 0.0180 0.9714 36.6152 20.3767 21.7652 ZDOCK M08 0.0232 -1.0477 clashes,incorrect 162/ 81 0.0090 0.9939 35.7533 17.8506 18.9700 Moal M06 0.0228 -1.0495 incorrect 23/ 81 0.0180 0.9836 39.0589 20.8718 22.3867 S.Moal M09 0.0227 -1.0497 incorrect 11/ 81 0.0180 0.9762 39.1502 20.7444 22.1850 S.Grudinin M03 0.0226 -1.0502 incorrect 4/ 81 0.0180 0.9730 39.2750 20.8276 22.2749 S.Kihara M09 0.0220 -1.0533 incorrect 23/ 81 0.0000 1.0000 34.0932 17.4009 18.7117 Ritchie M03 0.0219 -1.0534 incorrect 21/ 81 0.0000 1.0000 34.1053 17.4673 18.8198 Ritchie M09 0.0219 -1.0538 incorrect 17/ 81 0.0000 1.0000 36.1652 12.9605 13.9844 S.Fernandez-Recio M10 0.0218 -1.0540 incorrect 11/ 81 0.0000 1.0000 34.3293 17.0618 18.3485 Fernandez-Recio M08 0.0218 -1.0540 incorrect 11/ 81 0.0000 1.0000 34.3293 17.0618 18.3485 S.Gray M05 0.0213 -1.0564 incorrect 13/ 81 0.0000 1.0000 34.1582 20.0120 21.3956 Negi M06 0.0211 -1.0571 incorrect 20/ 81 0.0000 1.0000 35.9093 14.6539 15.9925 S.LZERD M05 0.0208 -1.0587 incorrect 8/ 81 0.0000 1.0000 35.4906 16.5231 17.6385 Chang M04 0.0208 -1.0587 incorrect 11/ 81 0.0090 0.9800 40.5235 14.0739 14.8991 Negi M02 0.0205 -1.0599 incorrect 15/ 81 0.0000 1.0000 35.5116 17.3641 18.4352 S.Huang M05 0.0204 -1.0603 incorrect 34/ 81 0.0000 1.0000 36.1210 15.8539 17.5002 S.Seok M08 0.0202 -1.0613 incorrect 5/ 81 0.0000 1.0000 35.6549 17.9578 19.4295 Negi M09 0.0199 -1.0629 incorrect 13/ 81 0.0308 0.9375 56.0005 18.7462 19.9126 S.Kihara M03 0.0198 -1.0632 incorrect 9/ 81 0.0000 1.0000 40.1871 11.5191 12.6099 S.Chang M06 0.0198 -1.0634 incorrect 27/ 81 0.0000 1.0000 35.5566 20.5675 21.7175 Huang M09 0.0198 -1.0635 incorrect 32/ 81 0.0000 1.0000 35.7714 19.5146 20.9146 ZDOCK M02 0.0197 -1.0639 clashes,incorrect 127/ 81 0.0000 1.0000 35.9115 19.3318 20.5556 Weng M02 0.0197 -1.0639 incorrect 51/ 81 0.0000 1.0000 35.9115 19.3318 20.6915 Negi M03 0.0195 -1.0649 incorrect 16/ 81 0.0000 1.0000 36.2616 18.8227 20.7327 S.Seok M01 0.0190 -1.0669 incorrect 3/ 81 0.0000 1.0000 36.9952 17.8959 19.0595 S.Weng M04 0.0187 -1.0682 incorrect 5/ 81 0.0000 1.0000 36.4668 21.7958 23.0807 Vajda,Kozakov M10 0.0185 -1.0692 incorrect 12/ 81 0.0000 1.0000 42.4467 11.3956 12.7337 CLUSPRO M09 0.0185 -1.0692 incorrect 12/ 81 0.0000 1.0000 42.4467 11.3956 12.7337 Moal M01 0.0184 -1.0698 incorrect 30/ 81 0.0000 1.0000 36.8399 21.7958 22.9970 S.Fernandez-Recio M08 0.0184 -1.0698 incorrect 2/ 81 0.0000 1.0000 38.2292 16.6027 18.1061 Fernandez-Recio M06 0.0184 -1.0698 incorrect 2/ 81 0.0000 1.0000 38.2292 16.6027 18.1061 Moal M08 0.0182 -1.0706 incorrect 27/ 81 0.0000 1.0000 37.2696 20.5675 21.7175 Negi M05 0.0178 -1.0724 incorrect 12/ 81 0.0000 1.0000 38.1164 19.0337 20.8667 S.Chang M08 0.0176 -1.0736 incorrect 13/ 81 0.0000 1.0000 38.0904 20.4305 21.1200 Moal M09 0.0174 -1.0746 incorrect 29/ 81 0.0000 1.0000 38.1737 21.3935 22.8847 S.Gray M02 0.0173 -1.0751 incorrect 17/ 81 0.0000 1.0000 38.2435 21.7988 23.3529 S.Bonvin M05 0.0172 -1.0752 incorrect 28/ 81 0.0000 1.0000 38.3487 21.3869 22.8721 S.Weng M10 0.0172 -1.0752 incorrect 11/ 81 0.0000 1.0000 38.3534 21.3935 22.9225 S.Kihara M06 0.0167 -1.0778 incorrect 19/ 81 0.0108 0.9857 45.8463 19.2382 20.5551 Chang M07 0.0164 -1.0791 incorrect 0/ 81 0.0000 1.0000 40.8466 17.0487 18.1043 Guerois M10 0.0153 -1.0845 incorrect 10/ 81 0.0000 1.0000 42.5976 17.3028 18.4121 S.Kihara M07 0.0140 -1.0901 incorrect 0/ 81 0.0000 1.0000 43.6786 19.9682 21.1215 S.Huang M06 0.0137 -1.0919 incorrect 19/ 81 0.0000 1.0000 46.1245 16.5745 17.7702 S.Kihara M04 0.0131 -1.0945 incorrect 21/ 81 0.0000 1.0000 46.8807 17.3227 18.6296 ZDOCK M09 0.0119 -1.0999 clashes,incorrect 215/ 81 0.0000 1.0000 48.8243 18.6896 20.6574 Weng M10 0.0114 -1.1021 incorrect 8/ 81 0.0090 0.9800 60.5595 19.2665 20.6920 Negi M08 0.0110 -1.1042 incorrect 13/ 81 0.0000 1.0000 50.1088 21.0583 22.8673 ZDOCK M03 0.0108 -1.1052 clashes,incorrect 267/ 81 0.0000 1.0000 51.4074 19.7474 21.7787 ZDOCK M10 0.0105 -1.1067 clashes,incorrect 276/ 81 0.0000 1.0000 52.3451 19.8402 20.7236 S.Fernandez-Recio M03 0.0099 -1.1092 incorrect 2/ 81 0.0000 1.0000 53.0723 21.6822 22.7616 S.Weng M06 0.0097 -1.1103 incorrect 6/ 81 0.0000 1.0000 53.0924 23.4260 25.4540 Huang M08 0.0095 -1.1110 incorrect 28/ 81 0.0000 1.0000 57.7434 17.3736 19.4218 S.Fernandez-Recio M09 0.0095 -1.1111 incorrect 2/ 81 0.0000 1.0000 55.6668 19.6400 20.1181 Fernandez-Recio M07 0.0095 -1.1111 incorrect 2/ 81 0.0000 1.0000 55.6668 19.6400 20.1181 DelCarpio M10 0.0092 -1.1127 incorrect 27/ 81 0.0000 1.0000 59.6540 17.1328 19.0877 S.Bonvin M07 0.0086 -1.1151 incorrect 20/ 81 0.0000 1.0000 55.3160 27.9134 28.7080 Moal M04 0.0086 -1.1154 incorrect 13/ 81 0.0000 1.0000 57.3857 22.7628 24.5146 S.Bonvin M08 0.0084 -1.1162 incorrect 2/ 81 0.0000 1.0000 56.0943 28.1635 29.0669 GRAMM-X M01 0.0083 -1.1166 incorrect 51/ 81 0.0000 1.0000 58.8189 22.2364 23.9371 S.Moal M04 0.0083 -1.1167 incorrect 25/ 81 0.0000 1.0000 59.6710 20.9990 23.0079 S.Weng M09 0.0082 -1.1172 incorrect 4/ 81 0.0000 1.0000 60.1244 21.1838 23.4021 GRAMM-X M10 0.0082 -1.1173 incorrect 21/ 81 0.0000 1.0000 59.6486 22.0247 23.6730 S.Weng M07 0.0078 -1.1189 incorrect 4/ 81 0.0000 1.0000 58.9704 26.7367 29.9332 GRAMM-X M08 0.0076 -1.1200 incorrect 35/ 81 0.0000 1.0000 62.8775 21.5005 22.8901 S.Gray M04 0.0070 -1.1228 incorrect 18/ 81 0.0000 1.0000 67.8184 20.0873 21.4603 S.Kihara M08 0.0070 -1.1230 incorrect 5/ 81 0.0000 1.0000 64.7296 23.9522 25.8558 Ritchie M05 0.0069 -1.1233 incorrect 25/ 81 0.0000 1.0000 65.4922 23.3236 24.7976 DelCarpio M09 0.0069 -1.1234 incorrect 29/ 81 0.0000 1.0000 64.5041 25.0512 26.6554 Grudinin M10 0.0068 -1.1239 incorrect 5/ 81 0.0000 1.0000 66.1001 23.6246 25.1274 S.Kihara M01 0.0068 -1.1239 incorrect 15/ 81 0.0000 1.0000 66.1069 23.6272 25.5667 GRAMM-X M09 0.0066 -1.1245 incorrect 34/ 81 0.0000 1.0000 66.8193 23.7942 25.8877 DelCarpio M05 0.0065 -1.1253 incorrect 19/ 81 0.0000 1.0000 67.5094 24.3452 25.4650 GRAMM-X M07 0.0064 -1.1254 incorrect 14/ 81 0.0000 1.0000 68.0110 23.7873 26.0553 S.Gray M09 0.0064 -1.1257 incorrect 11/ 81 0.0000 1.0000 68.7934 23.4010 25.3961 Negi M10 0.0064 -1.1257 incorrect 24/ 81 0.0000 1.0000 70.1899 21.9478 23.9344 DelCarpio M08 0.0063 -1.1258 incorrect 31/ 81 0.0000 1.0000 75.1033 18.6988 20.0622 S.Gray M07 0.0063 -1.1259 incorrect 14/ 81 0.0000 1.0000 68.4557 24.3506 26.2978 S.Gray M06 0.0063 -1.1260 incorrect 15/ 81 0.0000 1.0000 68.3962 24.4536 26.3855 DelCarpio M04 0.0063 -1.1260 incorrect 31/ 81 0.0000 1.0000 70.8795 21.6470 23.5719 GRAMM-X M03 0.0063 -1.1261 incorrect 32/ 81 0.0000 1.0000 68.8166 24.1885 26.5731 GRAMM-X M02 0.0062 -1.1265 incorrect 18/ 81 0.0000 1.0000 69.5063 24.0765 26.5219 Huang M05 0.0062 -1.1266 incorrect 29/ 81 0.0000 1.0000 69.2596 24.4935 26.2236 Zacharias M02 0.0062 -1.1267 incorrect 10/ 81 0.0000 1.0000 69.4765 24.5869 26.6661 Zacharias M08 0.0061 -1.1268 incorrect 12/ 81 0.0000 1.0000 69.3702 24.8727 26.7183 Huang M06 0.0061 -1.1268 incorrect 24/ 81 0.0000 1.0000 69.7534 24.3489 26.3193 CLUSPRO M10 0.0061 -1.1268 incorrect 13/ 81 0.0000 1.0000 69.4823 24.8278 27.3667 Huang M02 0.0061 -1.1269 incorrect 13/ 81 0.0000 1.0000 69.6797 24.6820 26.4538 Weng M08 0.0061 -1.1271 incorrect 26/ 81 0.0000 1.0000 70.1864 24.3694 26.0988 S.Huang M10 0.0061 -1.1271 incorrect 15/ 81 0.0000 1.0000 69.7637 24.9883 26.9106 S.Huang M07 0.0061 -1.1272 incorrect 15/ 81 0.0000 1.0000 69.8426 25.0255 26.9098 Huang M03 0.0060 -1.1273 incorrect 9/ 81 0.0000 1.0000 70.1076 24.8662 26.6973 Vakser M07 0.0060 -1.1274 incorrect 20/ 81 0.0000 1.0000 70.2546 24.8472 26.7374 S.Huang M02 0.0060 -1.1274 incorrect 17/ 81 0.0000 1.0000 70.0985 25.1241 27.0308 Iwadate M05 0.0060 -1.1274 incorrect 9/ 81 0.0000 1.0000 70.2878 24.8632 26.8218 Weng M07 0.0060 -1.1274 incorrect 13/ 81 0.0000 1.0000 70.5986 24.4566 26.0964 S.Huang M08 0.0060 -1.1274 incorrect 18/ 81 0.0000 1.0000 70.2072 25.0558 26.8087 S.Huang M09 0.0060 -1.1274 incorrect 14/ 81 0.0000 1.0000 70.2173 25.0555 26.7852 S.Gray M08 0.0060 -1.1274 incorrect 8/ 81 0.0000 1.0000 70.3856 24.8386 27.1237 Huang M04 0.0060 -1.1275 incorrect 6/ 81 0.0000 1.0000 70.3149 25.0205 26.8260 Ritchie M02 0.0060 -1.1275 incorrect 18/ 81 0.0000 1.0000 70.1438 25.4639 28.2189 LZERD M08 0.0060 -1.1276 incorrect 6/ 81 0.0000 1.0000 70.4676 25.0262 26.8588 Kihara M08 0.0060 -1.1276 incorrect 6/ 81 0.0000 1.0000 70.4676 25.0262 26.8588 LZERD M10 0.0060 -1.1276 incorrect 4/ 81 0.0000 1.0000 70.4691 25.0291 26.7979 Kihara M10 0.0060 -1.1276 incorrect 4/ 81 0.0000 1.0000 70.4691 25.0291 26.7979 LZERD M06 0.0060 -1.1276 incorrect 4/ 81 0.0000 1.0000 70.4737 25.0282 26.8018 Kihara M06 0.0060 -1.1276 incorrect 4/ 81 0.0000 1.0000 70.4737 25.0282 26.8018 LZERD M09 0.0060 -1.1276 incorrect 4/ 81 0.0000 1.0000 70.4732 25.0302 26.8317 Kihara M09 0.0060 -1.1276 incorrect 4/ 81 0.0000 1.0000 70.4732 25.0302 26.8317 LZERD M07 0.0060 -1.1276 incorrect 6/ 81 0.0000 1.0000 70.4752 25.0288 26.8102 Kihara M07 0.0060 -1.1276 incorrect 6/ 81 0.0000 1.0000 70.4752 25.0288 26.8102 Vakser M03 0.0060 -1.1276 incorrect 14/ 81 0.0000 1.0000 70.6490 24.8561 26.9349 S.Gray M10 0.0060 -1.1276 incorrect 15/ 81 0.0000 1.0000 70.9454 24.4692 26.7195 Huang M01 0.0060 -1.1276 incorrect 10/ 81 0.0000 1.0000 70.7243 24.7653 26.4669 HADDOCK M07 0.0060 -1.1276 incorrect 10/ 81 0.0000 1.0000 70.5074 25.1589 26.9246 GRAMM-X M04 0.0060 -1.1277 incorrect 32/ 81 0.0000 1.0000 71.2789 24.1885 26.5730 HADDOCK M08 0.0059 -1.1277 incorrect 5/ 81 0.0000 1.0000 70.5772 25.1985 27.1097 Ritchie M01 0.0058 -1.1282 incorrect 24/ 81 0.0000 1.0000 70.8870 25.8304 28.5518 Negi M07 0.0057 -1.1287 incorrect 33/ 81 0.0000 1.0000 71.7387 25.8819 28.1550 GRAMM-X M05 0.0056 -1.1292 incorrect 58/ 81 0.0000 1.0000 72.3908 26.0878 28.8385 S.Grudinin M08 0.0055 -1.1299 incorrect 2/ 81 0.0000 1.0000 76.9471 22.6309 25.6756 Ritchie M08 0.0054 -1.1301 incorrect 23/ 81 0.0000 1.0000 73.6281 26.8101 29.5329 S.Weng M05 0.0053 -1.1306 incorrect 5/ 81 0.0000 1.0000 74.7908 26.4209 29.1580 Moal M10 0.0053 -1.1307 incorrect 20/ 81 0.0000 1.0000 74.0077 27.9881 29.7311 Huang M10 0.0052 -1.1311 incorrect 7/ 81 0.0000 1.0000 77.2373 24.6140 27.4235 Ritchie M10 0.0051 -1.1315 incorrect 9/ 81 0.0000 1.0000 77.6218 25.2262 28.3848 GRAMM-X M06 0.0047 -1.1334 incorrect 22/ 81 0.0000 1.0000 78.7979 29.0993 31.1262

Target: T120.1

Group Model DockQ Zscore Classification nclash fnat fnonnat lrmsd irmsdbb irmsdsc Vakser M06 0.4465 2.2190 medium 33/ 34 0.3611 0.8243 3.8138 3.6273 5.2430 Huang M08 0.4465 2.2188 medium 15/ 34 0.3194 0.5741 2.9540 3.9181 5.2210 Iwadate M07 0.4458 2.2139 medium 24/ 34 0.3333 0.5918 3.5258 3.5589 5.7940 S.LZERD M02 0.4403 2.1760 medium 2/ 34 0.3611 0.3810 4.4501 3.2569 5.1603 Huang M05 0.4375 2.1566 acceptable 13/ 34 0.2917 0.5625 3.6958 3.2025 5.1641 Venclovas M04 0.4362 2.1475 acceptable 8/ 34 0.2917 0.3438 3.1904 3.7101 5.3176 Seok M04 0.4319 2.1173 medium 2/ 34 0.3333 0.3846 4.4164 3.2576 5.1290 Shen M06 0.4255 2.0726 medium 2/ 34 0.3611 0.6000 4.4628 3.8568 4.7391 Wallner M01 0.4226 2.0530 acceptable 6/ 34 0.2917 0.6182 4.0123 3.4570 5.0094 Vakser M04 0.4195 2.0313 medium 16/ 34 0.3333 0.7037 4.6724 3.4716 4.9527 Vakser M07 0.4186 2.0247 medium 5/ 34 0.3194 0.5965 4.9308 3.1164 4.5457 Venclovas M03 0.4155 2.0033 medium 8/ 34 0.3194 0.4250 4.1882 4.0157 5.9023 Shen M05 0.4145 1.9961 medium 3/ 34 0.3472 0.6032 4.5691 4.0553 5.6467 Venclovas M06 0.4135 1.9897 medium 11/ 34 0.3056 0.5000 4.1130 3.9738 5.9528 Vakser M03 0.4088 1.9568 acceptable 12/ 34 0.2639 0.7164 4.0461 3.6097 5.2340 S.LZERD M07 0.4086 1.9555 medium 4/ 34 0.3194 0.5000 4.9028 3.4875 5.2502 Wallner M08 0.4076 1.9484 acceptable 5/ 34 0.2361 0.6964 3.8398 3.4864 5.0285 Vakser M08 0.4068 1.9428 acceptable 16/ 34 0.3333 0.7143 5.2362 3.4095 5.1305 HADDOCK M07 0.4058 1.9359 acceptable 2/ 34 0.2778 0.4595 3.9506 4.1160 5.7300 Seok M08 0.4047 1.9286 medium 4/ 34 0.3056 0.5849 4.8860 3.4758 5.2494 S.Fernandez-Recio M02 0.4028 1.9151 medium 3/ 34 0.3056 0.5111 4.4725 4.0688 5.5026 Kihara M02 0.4015 1.9060 acceptable 14/ 34 0.3472 0.5902 5.1414 3.9652 5.4615 Kihara M10 0.4004 1.8986 acceptable 21/ 34 0.3472 0.6528 5.1848 3.9635 5.5360 S.LZERD M05 0.4001 1.8961 acceptable 2/ 34 0.3472 0.3750 5.7568 3.3443 5.1928 HADDOCK M09 0.3998 1.8944 acceptable 1/ 34 0.2917 0.5532 4.4506 4.0062 5.4651 Kihara M05 0.3979 1.8811 medium 2/ 34 0.3056 0.4359 4.9115 3.7413 4.7186 Venclovas M07 0.3973 1.8770 acceptable 11/ 34 0.2917 0.5333 5.1787 3.3025 5.2699 Seok M06 0.3968 1.8733 acceptable 4/ 34 0.3056 0.5217 5.1986 3.4753 5.2466 Wallner M09 0.3958 1.8662 acceptable 8/ 34 0.2778 0.6923 4.7853 3.5682 5.2666 Kihara M01 0.3943 1.8561 acceptable 3/ 34 0.3194 0.4390 5.0678 3.9536 5.6211 Vakser M05 0.3919 1.8395 acceptable 13/ 34 0.2639 0.7121 4.2151 4.2825 6.2001 Seok M07 0.3917 1.8375 acceptable 2/ 34 0.3194 0.4524 5.7340 3.3344 5.2776 Kihara M09 0.3908 1.8316 acceptable 8/ 34 0.3056 0.7027 5.0301 3.9473 5.6584 HADDOCK M08 0.3899 1.8253 acceptable 5/ 34 0.2639 0.5128 4.3956 4.1254 5.7858 Eisenstein M03 0.3896 1.8235 acceptable 2/ 34 0.2500 0.5500 4.5206 3.7269 5.6947 Vakser M01 0.3857 1.7960 acceptable 5/ 34 0.2639 0.4722 4.9449 3.6274 5.4974 Zacharias M05 0.3848 1.7900 acceptable 2/ 34 0.1944 0.5758 4.0387 3.6538 4.6998 Guerois M03 0.3847 1.7892 acceptable 6/ 34 0.3194 0.5660 5.6029 3.7549 5.4318 Zacharias M03 0.3845 1.7876 acceptable 1/ 34 0.3333 0.2941 5.6849 3.8941 5.5568 HADDOCK M10 0.3844 1.7873 acceptable 3/ 34 0.2500 0.5814 4.4925 4.0306 5.5468 Vakser M10 0.3809 1.7629 acceptable 7/ 34 0.2361 0.4688 4.8908 3.4969 5.4289 LZERD M09 0.3806 1.7606 acceptable 4/ 34 0.3056 0.4211 5.8821 3.4368 5.3429 LZERD M07 0.3798 1.7549 acceptable 4/ 34 0.3056 0.4211 5.9031 3.4483 5.3833 LZERD M05 0.3798 1.7549 acceptable 4/ 34 0.3056 0.4211 5.9031 3.4483 5.3833 SWARMDOCK M01 0.3791 1.7499 acceptable 6/ 34 0.2083 0.6667 3.8826 4.4631 6.2226 Kihara M07 0.3784 1.7451 acceptable 13/ 34 0.2917 0.6500 5.6699 3.5521 5.1151 Gray M10 0.3770 1.7355 acceptable 1/ 34 0.2500 0.5714 4.9570 3.8015 4.6143 LZERD M02 0.3760 1.7290 acceptable 3/ 34 0.2917 0.4167 5.8706 3.4447 5.3484 Vajda,Kozakov M01 0.3759 1.7281 acceptable 9/ 34 0.2500 0.6000 4.7378 4.1650 5.9127 CLUSPRO M06 0.3759 1.7281 acceptable 9/ 34 0.2500 0.6000 4.7378 4.1650 5.9127 LZERD M01 0.3758 1.7272 acceptable 4/ 34 0.2917 0.4324 5.8882 3.4379 5.3531 LZERD M10 0.3756 1.7257 acceptable 3/ 34 0.2917 0.4167 5.8947 3.4401 5.3226 LZERD M03 0.3754 1.7248 acceptable 3/ 34 0.2917 0.4167 5.9016 3.4383 5.3298 LZERD M08 0.3754 1.7245 acceptable 3/ 34 0.2917 0.4324 5.8965 3.4445 5.3348 LZERD M06 0.3754 1.7245 acceptable 3/ 34 0.2917 0.4324 5.8965 3.4445 5.3348 Kihara M04 0.3753 1.7239 acceptable 3/ 34 0.2778 0.5652 5.6088 3.5499 5.2824 LZERD M04 0.3750 1.7220 acceptable 4/ 34 0.2917 0.4167 5.9070 3.4485 5.3658 SWARMDOCK M10 0.3744 1.7173 acceptable 13/ 34 0.1944 0.6500 3.8450 4.5366 6.2943 Huang M02 0.3614 1.6271 acceptable 11/ 34 0.3056 0.5111 6.1287 4.0500 5.5563 Kihara M08 0.3604 1.6200 acceptable 3/ 34 0.2361 0.7463 5.6196 3.5824 5.2716 SWARMDOCK M06 0.3596 1.6145 acceptable 2/ 34 0.1944 0.6000 4.5012 4.4181 6.1289 SWARMDOCK M02 0.3570 1.5968 acceptable 1/ 34 0.2083 0.6429 4.7479 4.4848 6.1053 Eisenstein M01 0.3550 1.5824 acceptable 3/ 34 0.3056 0.4884 6.6679 3.7140 5.4256 Guerois M07 0.3540 1.5755 acceptable 4/ 34 0.2778 0.4595 6.5543 3.4760 4.8654 Guerois M02 0.3518 1.5603 acceptable 7/ 34 0.2222 0.6098 5.6347 3.7419 5.0813 Gray M04 0.3516 1.5589 acceptable 2/ 34 0.2361 0.3462 5.8458 3.7216 4.5463 Guerois M05 0.3495 1.5446 acceptable 3/ 34 0.2222 0.4286 5.6624 3.8173 5.4782 SWARMDOCK M09 0.3492 1.5422 acceptable 2/ 34 0.2083 0.5946 4.9894 4.6164 6.1901 Fernandez-Recio M02 0.3486 1.5379 acceptable 2/ 34 0.3472 0.4681 7.0386 4.3728 5.8944 Kihara M06 0.3482 1.5355 acceptable 9/ 34 0.2361 0.7302 5.8062 3.9380 5.8493 S.Huang M02 0.3473 1.5293 acceptable 8/ 34 0.3472 0.5370 7.9194 3.4439 5.3595 SWARMDOCK M08 0.3462 1.5216 acceptable 4/ 34 0.2500 0.5814 5.6277 4.6727 6.1492 Guerois M08 0.3452 1.5144 acceptable 4/ 34 0.2361 0.5000 6.1139 3.7114 5.1654 SWARMDOCK M05 0.3450 1.5127 acceptable 9/ 34 0.2500 0.5909 5.6535 4.7250 6.0986 Kihara M03 0.3447 1.5112 acceptable 5/ 34 0.2222 0.6444 5.7745 3.9195 5.9522 Wallner M04 0.3446 1.5103 acceptable 7/ 34 0.2500 0.7049 6.2709 3.7769 5.2907 S.Oliva M10 0.3426 1.4962 acceptable 9/ 34 0.3056 0.4884 6.6218 4.5049 5.8792 Moal M01 0.3426 1.4962 acceptable 9/ 34 0.3056 0.4884 6.6218 4.5049 5.8792 SWARMDOCK M04 0.3385 1.4678 acceptable 5/ 34 0.2639 0.5476 6.1293 4.6658 6.0405 Gray M01 0.3384 1.4669 acceptable 2/ 34 0.2361 0.4138 6.3788 3.7293 4.5620 SWARMDOCK M07 0.3325 1.4264 acceptable 3/ 34 0.2500 0.5500 6.1523 4.7303 6.1530 SWARMDOCK M03 0.3323 1.4247 acceptable 6/ 34 0.2500 0.5714 6.0783 4.9151 6.4147 Guerois M10 0.3318 1.4212 acceptable 5/ 34 0.2500 0.6087 6.5605 4.0879 5.5671 Vajda,Kozakov M02 0.3284 1.3977 acceptable 11/ 34 0.2778 0.6610 7.0689 4.1353 5.9309 Grudinin M03 0.3277 1.3925 acceptable 2/ 34 0.1944 0.6216 6.2344 3.7434 5.3892 S.Oliva M08 0.3242 1.3685 acceptable 2/ 34 0.3056 0.5217 8.2874 3.5107 5.4089 Seok M10 0.3242 1.3685 acceptable 2/ 34 0.3056 0.5217 8.2874 3.5107 5.4089 Zacharias M09 0.3146 1.3019 acceptable 4/ 34 0.1111 0.7576 5.2650 4.2652 5.2392 Eisenstein M04 0.3104 1.2724 acceptable 0/ 34 0.1389 0.7436 5.5443 4.7489 6.2269 Zacharias M06 0.3079 1.2548 acceptable 1/ 34 0.1944 0.4815 6.7386 4.1589 4.9549 S.Oliva M09 0.3024 1.2168 acceptable 8/ 34 0.2917 0.5882 8.9219 3.7230 5.5903 Seok M09 0.3024 1.2167 acceptable 8/ 34 0.2917 0.5882 8.9220 3.7230 5.5903 S.Bonvin M05 0.3019 1.2132 acceptable 7/ 34 0.2899 0.6000 8.9207 3.7197 5.5844 Zacharias M04 0.3006 1.2041 acceptable 3/ 34 0.1944 0.5882 7.2089 3.9565 4.7382 Zacharias M02 0.2990 1.1933 acceptable 4/ 34 0.1944 0.6410 7.2985 3.9324 4.8059 Grudinin M02 0.2986 1.1906 acceptable 1/ 34 0.2361 0.4138 7.8013 4.1208 5.7184 S.LZERD M08 0.2975 1.1829 acceptable 5/ 34 0.2778 0.5238 8.9216 3.7341 5.5934 Gray M05 0.2972 1.1806 acceptable 3/ 34 0.1528 0.6333 6.4833 4.3431 5.1240 Shen M08 0.2947 1.1635 acceptable 0/ 34 0.1667 0.5000 6.6502 4.5716 5.4132 Zacharias M08 0.2936 1.1560 acceptable 4/ 34 0.1528 0.6944 6.6642 4.2924 5.1882 Zacharias M07 0.2930 1.1518 acceptable 2/ 34 0.1250 0.6250 6.4667 4.0480 5.4970 Wallner M02 0.2882 1.1179 acceptable 5/ 34 0.1944 0.7255 7.7413 3.9962 5.6869 Huang M09 0.2831 1.0826 acceptable 6/ 34 0.2083 0.5588 7.3798 5.4342 7.6438 Zacharias M01 0.2818 1.0736 acceptable 3/ 34 0.1806 0.6389 7.3698 4.6586 6.1524 Shen M07 0.2749 1.0253 acceptable 3/ 34 0.1944 0.6889 7.7437 4.9623 6.4974 Zacharias M10 0.2728 1.0108 acceptable 2/ 34 0.1389 0.6774 7.3733 4.2930 5.3902 Iwadate M01 0.2647 0.9548 incorrect 27/ 34 0.3623 0.6094 11.2076 5.6122 7.4585 Gray M02 0.2623 0.9378 acceptable 0/ 34 0.1806 0.5517 8.4554 4.4130 5.7585 Iwadate M06 0.2576 0.9051 incorrect 24/ 34 0.3478 0.6667 11.3333 5.6937 7.4213 Gray M03 0.2494 0.8483 acceptable 1/ 34 0.1806 0.5517 9.0141 4.5786 5.8804 Shen M03 0.2423 0.7987 acceptable 2/ 34 0.1806 0.7045 9.5291 4.4241 5.2186 Shen M04 0.2386 0.7734 acceptable 1/ 34 0.1806 0.7400 9.6698 4.5152 5.2753 Shen M02 0.2339 0.7404 acceptable 0/ 34 0.1806 0.6486 9.8086 4.7072 6.2602 EMBOworkshop M07 0.2311 0.7213 incorrect 3/ 34 0.2778 0.7059 11.4909 5.8376 7.1981 S.Negi M08 0.2101 0.5751 incorrect 26/ 34 0.1528 0.7179 10.9333 4.4796 5.4551 Vakser M02 0.2093 0.5693 incorrect 6/ 34 0.2222 0.6981 11.4364 6.5530 7.5973 Gray M08 0.1994 0.5004 incorrect 0/ 34 0.0833 0.8571 9.1652 6.3787 7.1149 Gray M09 0.1763 0.3400 incorrect 3/ 34 0.0694 0.8810 10.5812 5.5835 6.5165 Gray M06 0.1511 0.1646 incorrect 3/ 34 0.0694 0.8837 11.6062 7.9089 8.8324 Vajda,Kozakov M03 0.1331 0.0397 incorrect 11/ 34 0.0833 0.8125 14.8754 5.4715 7.0034 CLUSPRO M01 0.1331 0.0397 incorrect 11/ 34 0.0833 0.8125 14.8754 5.4715 7.0034 EMBOworkshop M05 0.1100 -0.1212 incorrect 1/ 34 0.0694 0.8276 16.6145 6.3340 7.2594 GRAMM-X M06 0.0961 -0.2176 incorrect 29/ 34 0.0139 0.9844 14.8830 8.7547 9.3639 S.Huang M10 0.0880 -0.2739 incorrect 12/ 34 0.0833 0.9048 18.9620 12.8445 13.7447 Shen M01 0.0854 -0.2919 incorrect 0/ 34 0.0694 0.9000 18.5841 12.6297 13.4467 S.Bonvin M04 0.0848 -0.2960 incorrect 8/ 34 0.0725 0.9057 18.8863 12.7721 13.6052 S.Bonvin M03 0.0842 -0.3008 incorrect 11/ 34 0.0725 0.9107 19.0198 12.8334 13.6063 Eisenstein M06 0.0839 -0.3024 incorrect 1/ 34 0.0694 0.8276 20.0204 8.5806 9.4630 S.Zou M08 0.0838 -0.3033 incorrect 6/ 34 0.0694 0.9123 18.8895 12.7768 13.6200 S.Zou M07 0.0831 -0.3085 incorrect 13/ 34 0.0694 0.9153 19.0322 12.8384 13.6346 Venclovas M09 0.0825 -0.3125 incorrect 9/ 34 0.0556 0.9111 18.2843 12.5446 13.6559 S.Negi M07 0.0810 -0.3226 incorrect 16/ 34 0.0000 1.0000 16.0040 9.7695 10.9827 Iwadate M08 0.0801 -0.3290 incorrect 19/ 34 0.0556 0.9259 18.7512 12.4784 13.3871 Shen M10 0.0797 -0.3319 incorrect 1/ 34 0.0556 0.9149 18.7782 12.8703 13.5470 Iwadate M05 0.0785 -0.3403 incorrect 24/ 34 0.0441 0.9455 18.3831 12.0739 13.5264 Fernandez-Recio M01 0.0779 -0.3440 incorrect 1/ 34 0.0556 0.9000 19.1662 12.6415 13.5246 Iwadate M04 0.0779 -0.3441 incorrect 20/ 34 0.0441 0.9388 18.4794 12.1291 13.4433 GRAMM-X M02 0.0777 -0.3456 incorrect 25/ 34 0.0417 0.9524 18.5837 10.9526 11.7783 Iwadate M02 0.0771 -0.3495 incorrect 21/ 34 0.0441 0.9423 18.6103 12.2602 13.5115 Iwadate M03 0.0768 -0.3519 incorrect 33/ 34 0.0441 0.9444 18.6820 12.2388 13.4184 Venclovas M02 0.0767 -0.3525 incorrect 3/ 34 0.0417 0.9464 18.4944 12.5580 13.3869 Shen M09 0.0767 -0.3526 incorrect 0/ 34 0.0417 0.9388 18.4949 12.5697 13.3186 GRAMM-X M08 0.0762 -0.3564 incorrect 14/ 34 0.0139 0.9811 17.2877 10.5291 11.8602 Guerois M06 0.0761 -0.3565 incorrect 4/ 34 0.0417 0.9388 18.5975 12.6165 13.4220 S.Zou M03 0.0750 -0.3645 incorrect 10/ 34 0.0417 0.9589 18.8201 12.6609 13.3881 Seok M03 0.0750 -0.3645 incorrect 10/ 34 0.0417 0.9589 18.8201 12.6609 13.3881 S.Chang M10 0.0750 -0.3645 incorrect 10/ 34 0.0417 0.9589 18.8201 12.6609 13.3881 Grudinin M01 0.0748 -0.3658 incorrect 1/ 34 0.0417 0.9250 18.8884 12.4386 13.1659 S.Huang M01 0.0748 -0.3661 incorrect 16/ 34 0.0417 0.9625 18.8648 12.6591 13.3860 Gray M07 0.0747 -0.3666 incorrect 3/ 34 0.0417 0.9412 18.9584 12.1598 12.6697 S.Huang M07 0.0741 -0.3705 incorrect 10/ 34 0.0417 0.9474 18.9803 12.7484 13.5177 Venclovas M08 0.0741 -0.3707 incorrect 6/ 34 0.0278 0.9574 18.1472 12.3217 13.2884 S.Zou M04 0.0737 -0.3735 incorrect 4/ 34 0.0417 0.9423 19.0632 12.7871 13.5563 Seok M05 0.0737 -0.3735 incorrect 4/ 34 0.0417 0.9423 19.0632 12.7871 13.5563 S.LZERD M03 0.0737 -0.3738 incorrect 4/ 34 0.0417 0.9362 19.0735 12.7920 13.5801 Wallner M07 0.0733 -0.3761 incorrect 3/ 34 0.0278 0.9429 18.2393 12.7003 13.3934 Wallner M10 0.0732 -0.3772 incorrect 2/ 34 0.0278 0.9500 18.2816 12.6100 13.2918 Takeda-Shitaka M09 0.0730 -0.3781 clashes,incorrect 67/ 34 0.0417 0.9600 19.2855 12.2610 12.9837 Venclovas M05 0.0724 -0.3828 incorrect 14/ 34 0.0278 0.9556 18.4472 12.5233 13.4275 Guerois M09 0.0718 -0.3867 incorrect 5/ 34 0.0278 0.9429 18.5266 12.7254 13.6072 S.Oliva M06 0.0717 -0.3878 incorrect 4/ 34 0.0278 0.9592 18.6063 12.3705 13.2701 S.SWARMDOCK M09 0.0715 -0.3891 incorrect 5/ 34 0.0278 0.9608 18.6387 12.4067 13.2945 S.SWARMDOCK M02 0.0714 -0.3892 incorrect 5/ 34 0.0278 0.9600 18.6409 12.4118 13.3051 S.SWARMDOCK M06 0.0714 -0.3894 incorrect 4/ 34 0.0278 0.9608 18.6469 12.4015 13.2568 S.SWARMDOCK M04 0.0714 -0.3895 incorrect 3/ 34 0.0278 0.9556 18.6474 12.4258 13.2739 Huang M03 0.0714 -0.3897 incorrect 14/ 34 0.0278 0.9512 18.6448 12.4763 13.1915 S.SWARMDOCK M07 0.0713 -0.3901 incorrect 7/ 34 0.0278 0.9535 18.6618 12.4360 13.2412 S.Oliva M01 0.0713 -0.3901 incorrect 7/ 34 0.0278 0.9535 18.6618 12.4360 13.2412 S.SWARMDOCK M08 0.0713 -0.3902 incorrect 5/ 34 0.0278 0.9565 18.6644 12.4445 13.3271 S.SWARMDOCK M05 0.0712 -0.3906 incorrect 6/ 34 0.0278 0.9608 18.6759 12.4466 13.2502 S.Oliva M03 0.0712 -0.3908 incorrect 4/ 34 0.0278 0.9535 18.6822 12.4454 13.3975 S.Oliva M05 0.0712 -0.3909 incorrect 3/ 34 0.0278 0.9545 18.6902 12.4096 13.2447 S.SWARMDOCK M03 0.0712 -0.3911 incorrect 3/ 34 0.0278 0.9583 18.6838 12.4812 13.2674 Guerois M04 0.0711 -0.3914 incorrect 1/ 34 0.0278 0.9474 18.6593 12.7224 13.7230 S.SWARMDOCK M01 0.0709 -0.3929 incorrect 4/ 34 0.0278 0.9600 18.7381 12.4659 13.3189 S.Oliva M02 0.0709 -0.3930 incorrect 3/ 34 0.0278 0.9524 18.7374 12.4827 13.2966 S.Moal M01 0.0709 -0.3933 incorrect 16/ 34 0.0278 0.9701 18.7622 12.3823 13.3317 HADDOCK M01 0.0708 -0.3935 incorrect 4/ 34 0.0278 0.9623 18.7562 12.4572 13.4198 HADDOCK M05 0.0708 -0.3935 incorrect 5/ 34 0.0278 0.9583 18.7580 12.4476 13.3671 S.SWARMDOCK M10 0.0708 -0.3938 incorrect 4/ 34 0.0278 0.9608 18.7656 12.4526 13.3260 S.Oliva M04 0.0704 -0.3963 incorrect 6/ 34 0.0278 0.9574 18.8397 12.4436 13.4050 HADDOCK M04 0.0704 -0.3965 incorrect 6/ 34 0.0278 0.9623 18.8404 12.4756 13.3787 S.Huang M06 0.0704 -0.3966 incorrect 7/ 34 0.0278 0.9683 18.8490 12.4429 13.3133 S.LZERD M01 0.0703 -0.3970 incorrect 8/ 34 0.0278 0.9740 18.8275 12.6582 13.5569 Takeda-Shitaka M04 0.0702 -0.3975 incorrect 30/ 34 0.0278 0.9535 18.8727 12.4496 12.9910 HADDOCK M02 0.0702 -0.3979 incorrect 7/ 34 0.0278 0.9649 18.8851 12.4469 13.3808 S.Zou M02 0.0702 -0.3980 incorrect 4/ 34 0.0278 0.9655 18.8847 12.4632 13.3312 Eisenstein M02 0.0702 -0.3981 incorrect 7/ 34 0.0278 0.9600 18.8825 12.5040 13.3859 S.Oliva M07 0.0701 -0.3982 incorrect 6/ 34 0.0278 0.9583 18.8835 12.5130 13.4293 S.Negi M03 0.0699 -0.3998 incorrect 10/ 34 0.0000 1.0000 17.4024 11.3559 11.6689 S.Fernandez-Recio M01 0.0699 -0.4001 incorrect 4/ 34 0.0278 0.9643 18.9365 12.5304 13.4587 Huang M04 0.0697 -0.4012 incorrect 8/ 34 0.0278 0.9500 18.9618 12.5754 13.3347 Takeda-Shitaka M06 0.0697 -0.4014 incorrect 21/ 34 0.0278 0.9535 18.9785 12.5129 13.2265 Takeda-Shitaka M07 0.0697 -0.4017 clashes,incorrect 61/ 34 0.0278 0.9740 19.0191 12.2933 12.9866 Venclovas M01 0.0696 -0.4018 incorrect 17/ 34 0.0139 0.9792 18.1209 12.3055 13.1799 Takeda-Shitaka M03 0.0696 -0.4019 clashes,incorrect 38/ 34 0.0278 0.9565 19.0127 12.3802 13.0545 Wallner M05 0.0696 -0.4023 incorrect 1/ 34 0.0278 0.9444 18.9640 12.7804 13.5528 S.Bonvin M01 0.0695 -0.4026 incorrect 4/ 34 0.0435 0.9375 20.0412 13.2846 14.2447 Guerois M01 0.0695 -0.4029 incorrect 4/ 34 0.0278 0.9661 19.0087 12.6012 13.1966 Vajda,Kozakov M09 0.0694 -0.4036 incorrect 7/ 34 0.0694 0.8571 24.8013 8.0437 9.4464 CLUSPRO M08 0.0694 -0.4036 incorrect 7/ 34 0.0694 0.8571 24.8013 8.0437 9.4464 Huang M01 0.0694 -0.4036 incorrect 20/ 34 0.0694 0.9057 22.8903 11.2289 11.9661 Takeda-Shitaka M05 0.0691 -0.4058 incorrect 23/ 34 0.0278 0.9524 19.1196 12.4293 13.2928 GRAMM-X M07 0.0690 -0.4059 incorrect 17/ 34 0.0139 0.9825 18.5023 10.7968 11.1944 Wallner M06 0.0690 -0.4063 incorrect 3/ 34 0.0278 0.9333 19.0240 13.2053 13.9139 Takeda-Shitaka M02 0.0689 -0.4071 incorrect 23/ 34 0.0278 0.9444 19.1447 12.5334 13.1406 S.Zou M09 0.0688 -0.4073 incorrect 3/ 34 0.0417 0.9434 20.0563 13.2922 14.3209 Takeda-Shitaka M08 0.0685 -0.4098 clashes,incorrect 66/ 34 0.0278 0.9730 19.2293 12.5082 13.1363 S.Huang M08 0.0683 -0.4107 incorrect 6/ 34 0.0278 0.9643 19.2107 12.8088 13.5798 S.Zou M05 0.0682 -0.4119 incorrect 3/ 34 0.0278 0.9600 19.2455 12.8276 13.5884 Seok M01 0.0682 -0.4119 incorrect 3/ 34 0.0278 0.9600 19.2455 12.8276 13.5884 S.LZERD M10 0.0681 -0.4122 incorrect 3/ 34 0.0278 0.9565 19.2519 12.8273 13.7482 Takeda-Shitaka M01 0.0680 -0.4128 incorrect 24/ 34 0.0278 0.9512 19.3349 12.4185 13.0665 Takeda-Shitaka M10 0.0674 -0.4175 clashes,incorrect 81/ 34 0.0278 0.9750 19.4714 12.4758 13.0459 Vakser M09 0.0670 -0.4199 incorrect 8/ 34 0.0278 0.9615 19.5125 12.6901 13.4975 S.Bonvin M02 0.0655 -0.4306 incorrect 8/ 34 0.0145 0.9844 18.9345 12.4854 13.4164 S.Zou M10 0.0652 -0.4323 incorrect 6/ 34 0.0139 0.9844 18.9404 12.4955 13.4161 HADDOCK M03 0.0652 -0.4323 incorrect 6/ 34 0.0139 0.9844 18.9404 12.4955 13.4161 HADDOCK M06 0.0652 -0.4324 incorrect 4/ 34 0.0139 0.9825 18.9442 12.4869 13.4604 S.Negi M06 0.0650 -0.4343 incorrect 2/ 34 0.0278 0.9412 19.9247 13.0101 13.5635 Negi M09 0.0650 -0.4343 incorrect 2/ 34 0.0278 0.9412 19.9247 13.0101 13.5635 Wallner M03 0.0641 -0.4404 incorrect 4/ 34 0.0139 0.9706 19.1296 12.8475 13.5886 GRAMM-X M04 0.0636 -0.4440 incorrect 16/ 34 0.0556 0.9298 22.8109 12.9972 13.5926 S.Huang M04 0.0621 -0.4538 incorrect 10/ 34 0.0139 0.9881 19.5966 12.4996 13.2461 S.LZERD M04 0.0621 -0.4541 incorrect 10/ 34 0.0139 0.9857 19.6012 12.5146 13.3262 S.Zou M01 0.0621 -0.4541 incorrect 6/ 34 0.0139 0.9873 19.6029 12.5122 13.2582 Seok M02 0.0621 -0.4541 incorrect 6/ 34 0.0139 0.9873 19.6029 12.5122 13.2582 Vajda,Kozakov M07 0.0619 -0.4554 incorrect 4/ 34 0.0139 0.9667 21.6829 7.4813 8.7283 CLUSPRO M05 0.0619 -0.4554 incorrect 4/ 34 0.0139 0.9667 21.6829 7.4813 8.7283 GRAMM-X M09 0.0614 -0.4590 incorrect 15/ 34 0.0278 0.9636 20.7737 13.0732 13.6440 Huang M10 0.0609 -0.4625 incorrect 8/ 34 0.0000 1.0000 18.7990 13.0864 14.0895 Venclovas M10 0.0608 -0.4631 incorrect 8/ 34 0.0139 0.9767 19.8052 13.0697 13.9210 S.Negi M02 0.0601 -0.4682 incorrect 6/ 34 0.0139 0.9756 20.4766 10.6745 11.4842 S.Negi M04 0.0600 -0.4685 incorrect 18/ 34 0.0000 1.0000 19.3881 10.8032 11.7206 EMBOworkshop M08 0.0592 -0.4746 incorrect 4/ 34 0.0000 1.0000 19.6802 10.4266 11.4516 S.Zou M06 0.0591 -0.4749 incorrect 7/ 34 0.0139 0.9792 20.1408 13.4623 14.6267 S.Huang M09 0.0590 -0.4759 incorrect 9/ 34 0.0139 0.9815 20.1738 13.4689 14.6267 Eisenstein M07 0.0578 -0.4840 incorrect 2/ 34 0.0139 0.9688 20.9962 10.8559 11.5916 S.Chang M02 0.0540 -0.5104 incorrect 17/ 34 0.0556 0.9623 25.9865 15.0732 16.6681 Negi M08 0.0535 -0.5138 incorrect 18/ 34 0.0139 0.9730 21.7220 12.6364 13.1032 S.Negi M05 0.0533 -0.5151 incorrect 13/ 34 0.0139 0.9730 22.0611 11.4611 12.9639 S.Negi M10 0.0533 -0.5152 incorrect 12/ 34 0.0139 0.9688 22.0531 11.4946 12.9873 S.Negi M09 0.0533 -0.5152 incorrect 12/ 34 0.0139 0.9688 22.0531 11.4946 12.9873 Vajda,Kozakov M10 0.0516 -0.5272 incorrect 8/ 34 0.0000 1.0000 20.8903 13.1877 13.3916 CLUSPRO M09 0.0516 -0.5272 incorrect 8/ 34 0.0000 1.0000 20.8903 13.1877 13.3915 S.Grudinin M05 0.0497 -0.5403 incorrect 2/ 34 0.0000 1.0000 21.7389 11.5728 12.7383 S.LZERD M06 0.0497 -0.5405 incorrect 5/ 34 0.0000 1.0000 21.7445 11.5827 12.7684 Vajda,Kozakov M04 0.0488 -0.5470 incorrect 7/ 34 0.0139 0.9688 23.3057 12.1709 13.1880 CLUSPRO M02 0.0488 -0.5470 incorrect 7/ 34 0.0139 0.9688 23.3057 12.1709 13.1880 DelCarpio M09 0.0484 -0.5497 incorrect 16/ 34 0.0000 1.0000 22.2816 11.0583 11.5895 Huang M07 0.0472 -0.5575 incorrect 20/ 34 0.0556 0.9200 31.1878 11.4174 12.8508 Vajda,Kozakov M05 0.0470 -0.5595 incorrect 12/ 34 0.0139 0.9773 25.7153 8.7645 9.9307 CLUSPRO M03 0.0470 -0.5595 incorrect 12/ 34 0.0139 0.9773 25.7153 8.7645 9.9307 S.Vakser M04 0.0469 -0.5600 incorrect 11/ 34 0.0556 0.9551 30.6598 12.7420 13.8483 S.Chang M07 0.0469 -0.5600 incorrect 11/ 34 0.0556 0.9551 30.6598 12.7420 13.8483 S.Negi M01 0.0468 -0.5608 incorrect 20/ 34 0.0139 0.9756 24.0066 12.1475 13.5253 Negi M06 0.0468 -0.5608 incorrect 20/ 34 0.0139 0.9756 24.0066 12.1475 13.5253 GRAMM-X M01 0.0447 -0.5754 incorrect 14/ 34 0.0000 1.0000 23.1958 11.9108 12.2254 Eisenstein M09 0.0431 -0.5865 incorrect 3/ 34 0.0139 0.9722 27.0396 9.2985 9.9297 EMBOworkshop M03 0.0430 -0.5868 incorrect 11/ 34 0.0000 1.0000 23.7753 11.8560 13.1827 S.Vakser M08 0.0415 -0.5975 incorrect 13/ 34 0.0278 0.9730 27.7684 14.2279 14.7216 EMBOworkshop M06 0.0415 -0.5978 incorrect 5/ 34 0.0000 1.0000 24.1677 12.4663 12.7103 Vajda,Kozakov M06 0.0414 -0.5978 incorrect 10/ 34 0.0000 1.0000 24.1805 12.4297 13.1175 CLUSPRO M04 0.0414 -0.5978 incorrect 10/ 34 0.0000 1.0000 24.1805 12.4297 13.1175 Eisenstein M05 0.0392 -0.6134 incorrect 1/ 34 0.0139 0.9655 28.5934 9.8828 10.4680 S.Huang M03 0.0386 -0.6177 incorrect 18/ 34 0.0000 1.0000 26.8598 9.4227 9.6668 S.Bonvin M09 0.0385 -0.6183 incorrect 12/ 34 0.0000 1.0000 26.9050 9.4211 9.6708 S.Chang M09 0.0385 -0.6186 incorrect 16/ 34 0.0000 1.0000 26.9203 9.4253 9.6756 DelCarpio M08 0.0385 -0.6186 incorrect 16/ 34 0.0000 1.0000 26.9203 9.4253 9.6756 DelCarpio M10 0.0385 -0.6186 incorrect 16/ 34 0.0000 1.0000 26.9205 9.4255 9.6756 S.Kihara M07 0.0374 -0.6258 incorrect 3/ 34 0.0000 1.0000 24.9811 16.1903 16.5816 CLUSPRO M10 0.0315 -0.6668 incorrect 8/ 34 0.0000 1.0000 28.9488 12.0667 12.9448 S.Kihara M01 0.0314 -0.6673 incorrect 3/ 34 0.0278 0.9744 34.5070 15.4463 16.9703 S.Chang M05 0.0314 -0.6674 incorrect 13/ 34 0.0145 0.9892 32.0831 12.4925 13.5878 S.Bonvin M10 0.0314 -0.6677 incorrect 2/ 34 0.0145 0.9821 32.0050 12.6903 13.8266 S.Moal M08 0.0276 -0.6943 incorrect 3/ 34 0.0000 1.0000 31.4450 12.3236 13.4373 Negi M03 0.0273 -0.6959 incorrect 23/ 34 0.0000 1.0000 31.0443 13.4592 14.3086 S.Kihara M08 0.0268 -0.6996 incorrect 6/ 34 0.0139 0.9773 35.8750 12.8829 14.1177 S.Seok M06 0.0267 -0.7002 incorrect 4/ 34 0.0000 1.0000 33.7781 10.3403 11.1160 Grudinin M10 0.0264 -0.7025 incorrect 2/ 34 0.0000 1.0000 34.5172 10.0071 11.2707 Chang M09 0.0263 -0.7028 incorrect 4/ 34 0.0000 1.0000 31.4009 14.3736 15.0820 Vajda,Kozakov M08 0.0263 -0.7034 incorrect 7/ 34 0.0000 1.0000 31.6445 13.9116 14.7173 CLUSPRO M07 0.0263 -0.7034 incorrect 7/ 34 0.0000 1.0000 31.6445 13.9116 14.7173 Chang M03 0.0253 -0.7098 incorrect 4/ 34 0.0000 1.0000 33.5732 11.8460 12.2850 EMBOworkshop M02 0.0247 -0.7146 incorrect 8/ 34 0.0278 0.9722 42.9561 16.2235 17.1092 S.Chang M06 0.0241 -0.7182 incorrect 8/ 34 0.0000 1.0000 32.7610 15.4556 16.4654 S.Grudinin M03 0.0241 -0.7182 incorrect 3/ 34 0.0139 0.9828 38.7842 13.2510 14.2896 Eisenstein M08 0.0231 -0.7254 incorrect 5/ 34 0.0139 0.9714 40.2516 13.2372 14.0456 Chang M01 0.0230 -0.7259 incorrect 3/ 34 0.0000 1.0000 35.7944 11.8851 12.9280 S.Vakser M10 0.0229 -0.7269 incorrect 10/ 34 0.0000 1.0000 33.6772 15.9706 17.0279 S.Kihara M02 0.0229 -0.7269 incorrect 20/ 34 0.0000 1.0000 33.6773 15.9705 17.0980 Grudinin M09 0.0226 -0.7287 incorrect 4/ 34 0.0000 1.0000 35.9473 12.1830 13.2966 S.Kihara M03 0.0221 -0.7323 incorrect 2/ 34 0.0000 1.0000 37.3500 11.3869 12.3372 Ritchie M10 0.0220 -0.7331 incorrect 7/ 34 0.0000 1.0000 35.0646 14.5994 15.4998 S.Moal M03 0.0218 -0.7344 incorrect 4/ 34 0.0000 1.0000 37.6521 11.4331 12.3810 Chang M07 0.0216 -0.7356 incorrect 2/ 34 0.0000 1.0000 36.8832 12.3803 13.2168 EMBOworkshop M01 0.0213 -0.7379 incorrect 8/ 34 0.0278 0.9535 48.9319 18.1197 18.8810 Moal M10 0.0212 -0.7385 incorrect 9/ 34 0.0000 1.0000 35.6808 14.9760 15.7980 S.Fernandez-Recio M06 0.0212 -0.7387 incorrect 5/ 34 0.0000 1.0000 35.6858 15.0252 15.8372 Fernandez-Recio M04 0.0211 -0.7396 incorrect 2/ 34 0.0000 1.0000 37.3446 12.6262 13.7051 S.Fernandez-Recio M03 0.0208 -0.7414 incorrect 2/ 34 0.0000 1.0000 35.5869 16.2767 16.5220 GRAMM-X M10 0.0208 -0.7416 incorrect 28/ 34 0.0000 1.0000 37.0146 13.4844 14.6220 Weng M10 0.0205 -0.7437 incorrect 19/ 34 0.0139 0.9833 42.4606 15.7724 17.0231 Weng M03 0.0202 -0.7455 clashes,incorrect 62/ 34 0.0000 1.0000 37.6017 13.6195 14.9869 S.LZERD M09 0.0201 -0.7464 incorrect 4/ 34 0.0000 1.0000 37.8261 13.5104 14.7920 Fernandez-Recio M07 0.0198 -0.7485 incorrect 3/ 34 0.0000 1.0000 37.2215 15.1210 16.0867 DelCarpio M07 0.0194 -0.7509 incorrect 14/ 34 0.0000 1.0000 37.9705 14.5145 14.7500 Weng M01 0.0193 -0.7515 clashes,incorrect 63/ 34 0.0000 1.0000 38.8041 13.4670 14.8472 Fernandez-Recio M06 0.0190 -0.7540 incorrect 5/ 34 0.0000 1.0000 37.7664 15.9753 16.7189 S.Chang M01 0.0189 -0.7543 incorrect 26/ 34 0.0000 1.0000 37.6390 16.4177 17.0937 Moal M03 0.0182 -0.7598 incorrect 5/ 34 0.0000 1.0000 41.9700 12.1340 13.5149 Ritchie M05 0.0181 -0.7603 incorrect 6/ 34 0.0000 1.0000 39.0092 15.8444 16.8706 S.Chang M08 0.0180 -0.7606 incorrect 23/ 34 0.0000 1.0000 38.9229 16.1140 17.1272 Ritchie M01 0.0179 -0.7614 incorrect 14/ 34 0.0000 1.0000 38.5946 17.2503 18.1770 S.Seok M04 0.0178 -0.7619 incorrect 5/ 34 0.0000 1.0000 40.7812 13.6602 14.9050 S.Moal M06 0.0177 -0.7629 incorrect 5/ 34 0.0000 1.0000 39.5882 15.6930 16.7076 Ritchie M08 0.0177 -0.7629 incorrect 6/ 34 0.0000 1.0000 39.9924 15.0107 16.1808 S.Seok M02 0.0175 -0.7642 incorrect 2/ 34 0.0000 1.0000 41.7793 13.1676 14.1545 S.Seok M07 0.0174 -0.7648 incorrect 5/ 34 0.0000 1.0000 43.7882 11.7717 12.7967 Chang M04 0.0174 -0.7651 incorrect 3/ 34 0.0000 1.0000 41.7878 13.3619 14.0492 Ritchie M03 0.0173 -0.7657 incorrect 12/ 34 0.0000 1.0000 39.5118 17.0411 17.8597 Ritchie M02 0.0173 -0.7657 incorrect 11/ 34 0.0000 1.0000 39.4051 17.3272 18.2687 S.Chang M04 0.0173 -0.7660 incorrect 19/ 34 0.0000 1.0000 41.6704 13.7246 14.7709 S.Fernandez-Recio M05 0.0172 -0.7665 incorrect 14/ 34 0.0000 1.0000 41.7141 13.7897 14.8371 S.Seok M10 0.0171 -0.7669 incorrect 3/ 34 0.0000 1.0000 40.8049 15.0823 16.2211 Fernandez-Recio M03 0.0171 -0.7671 incorrect 3/ 34 0.0000 1.0000 40.0412 16.5415 17.3253 S.Venclovas M10 0.0170 -0.7676 incorrect 6/ 34 0.0000 1.0000 43.9867 12.1199 13.4416 Moal M08 0.0170 -0.7676 incorrect 6/ 34 0.0000 1.0000 43.9867 12.1199 13.4416 S.Vakser M07 0.0170 -0.7679 incorrect 9/ 34 0.0000 1.0000 39.4873 18.3078 19.3108 Eisenstein M10 0.0170 -0.7681 incorrect 1/ 34 0.0000 1.0000 41.9760 13.9262 14.6530 S.Fernandez-Recio M04 0.0170 -0.7681 incorrect 2/ 34 0.0000 1.0000 39.4990 18.4095 19.4096 Ritchie M06 0.0169 -0.7687 incorrect 12/ 34 0.0000 1.0000 41.0324 15.3613 16.7948 Weng M06 0.0168 -0.7694 incorrect 25/ 34 0.0000 1.0000 41.4726 14.9423 16.1297 Weng M02 0.0167 -0.7697 clashes,incorrect 46/ 34 0.0000 1.0000 41.6246 14.8039 16.0709 S.Kihara M06 0.0167 -0.7698 incorrect 6/ 34 0.0000 1.0000 41.0158 15.7677 16.3344 Ritchie M09 0.0167 -0.7698 incorrect 9/ 34 0.0000 1.0000 40.3484 17.1033 18.0467 S.Venclovas M06 0.0167 -0.7698 incorrect 7/ 34 0.0000 1.0000 41.0320 15.7585 16.2198 DelCarpio M02 0.0167 -0.7698 incorrect 7/ 34 0.0000 1.0000 41.0320 15.7585 16.2198 S.Moal M02 0.0165 -0.7711 incorrect 9/ 34 0.0000 1.0000 43.0480 13.5841 14.6446 S.Moal M09 0.0164 -0.7718 incorrect 5/ 34 0.0000 1.0000 42.6097 14.2125 15.0563 Weng M08 0.0163 -0.7724 clashes,incorrect 45/ 34 0.0000 1.0000 42.4974 14.5450 15.7805 S.Fernandez-Recio M10 0.0163 -0.7725 incorrect 2/ 34 0.0000 1.0000 43.3706 13.6188 14.7125 S.Grudinin M04 0.0163 -0.7727 incorrect 3/ 34 0.0000 1.0000 42.6880 14.4017 15.8548 S.Grudinin M07 0.0163 -0.7729 incorrect 2/ 34 0.0000 1.0000 42.5793 14.5935 16.3005 Ritchie M04 0.0162 -0.7730 incorrect 7/ 34 0.0000 1.0000 41.6383 15.9855 17.1310 Grudinin M05 0.0162 -0.7732 incorrect 3/ 34 0.0000 1.0000 42.6326 14.6013 16.2911 S.Seok M08 0.0162 -0.7735 incorrect 6/ 34 0.0000 1.0000 43.2796 13.9758 15.5316 Moal M05 0.0160 -0.7747 incorrect 5/ 34 0.0000 1.0000 45.0069 12.7770 14.1593 Fernandez-Recio M05 0.0160 -0.7748 incorrect 1/ 34 0.0000 1.0000 41.5512 16.9312 17.4944 Negi M02 0.0159 -0.7751 incorrect 18/ 34 0.0000 1.0000 43.8112 13.8693 15.0132 S.Moal M07 0.0158 -0.7764 incorrect 11/ 34 0.0000 1.0000 43.1933 14.9281 16.1154 S.Grudinin M06 0.0157 -0.7765 incorrect 3/ 34 0.0000 1.0000 42.9446 15.2886 16.3390 Negi M05 0.0156 -0.7773 incorrect 9/ 34 0.0000 1.0000 42.3794 16.4810 17.2309 S.Grudinin M10 0.0156 -0.7775 incorrect 4/ 34 0.0000 1.0000 46.5025 12.3708 13.9705 S.Fernandez-Recio M08 0.0155 -0.7781 incorrect 3/ 34 0.0000 1.0000 43.6130 14.9465 15.9697 Negi M11 0.0154 -0.7792 incorrect 24/ 34 0.0000 1.0000 43.9074 14.9658 15.7488 S.Kihara M04 0.0151 -0.7808 incorrect 1/ 34 0.0000 1.0000 42.2846 18.4977 18.5690 S.Moal M04 0.0151 -0.7812 incorrect 5/ 34 0.0000 1.0000 43.5949 16.1184 17.0905 DelCarpio M05 0.0150 -0.7814 incorrect 14/ 34 0.0000 1.0000 43.3762 16.5617 17.0403 S.Chang M03 0.0150 -0.7815 incorrect 19/ 34 0.0000 1.0000 42.9432 17.3929 17.8168 Negi M10 0.0148 -0.7829 incorrect 25/ 34 0.0000 1.0000 43.9474 16.2971 17.6682 Negi M01 0.0148 -0.7829 incorrect 25/ 34 0.0000 1.0000 43.9474 16.2971 17.6682 DelCarpio M03 0.0148 -0.7831 incorrect 17/ 34 0.0000 1.0000 43.2518 17.5921 17.8740 DelCarpio M01 0.0148 -0.7832 incorrect 13/ 34 0.0000 1.0000 43.9834 16.3367 16.8727 S.Bonvin M07 0.0148 -0.7832 incorrect 6/ 34 0.0000 1.0000 43.9821 16.3395 16.8521 EMBOworkshop M04 0.0148 -0.7833 incorrect 6/ 34 0.0000 1.0000 44.4042 15.7889 16.9386 S.Fernandez-Recio M09 0.0148 -0.7834 incorrect 12/ 34 0.0000 1.0000 44.0151 16.3678 16.8981 Huang M06 0.0147 -0.7837 incorrect 18/ 34 0.0000 1.0000 45.5766 14.5344 15.2798 Weng M05 0.0147 -0.7837 clashes,incorrect 53/ 34 0.0000 1.0000 44.5896 15.6920 16.9220 S.Grudinin M02 0.0147 -0.7839 incorrect 5/ 34 0.0000 1.0000 45.0572 15.1795 16.5158 Negi M07 0.0146 -0.7842 incorrect 10/ 34 0.0000 1.0000 44.2450 16.3503 17.3142 S.Bonvin M08 0.0146 -0.7846 incorrect 25/ 34 0.0000 1.0000 44.2664 16.4891 17.1268 S.Venclovas M08 0.0146 -0.7846 incorrect 20/ 34 0.0000 1.0000 44.4291 16.2636 16.6717 S.Seok M05 0.0146 -0.7847 incorrect 5/ 34 0.0000 1.0000 45.3911 15.0489 15.7246 Grudinin M04 0.0145 -0.7849 incorrect 2/ 34 0.0000 1.0000 45.2411 15.2976 16.9948 S.Grudinin M01 0.0145 -0.7849 incorrect 2/ 34 0.0000 1.0000 45.2512 15.3030 16.9995 S.Bonvin M06 0.0145 -0.7850 incorrect 28/ 34 0.0000 1.0000 44.1673 16.8563 17.1873 Fernandez-Recio M09 0.0145 -0.7850 incorrect 3/ 34 0.0000 1.0000 44.3559 16.5629 17.2181 S.Fernandez-Recio M07 0.0145 -0.7851 incorrect 8/ 34 0.0000 1.0000 44.5699 16.2769 16.8094 DelCarpio M06 0.0144 -0.7859 incorrect 11/ 34 0.0000 1.0000 43.4387 18.8544 19.1270 Moal M06 0.0144 -0.7860 incorrect 5/ 34 0.0000 1.0000 44.1196 17.4506 18.2698 Fernandez-Recio M10 0.0143 -0.7869 incorrect 4/ 34 0.0000 1.0000 44.5481 17.1016 17.9384 S.Kihara M10 0.0141 -0.7878 incorrect 2/ 34 0.0000 1.0000 46.8239 14.5731 15.9069 Negi M04 0.0141 -0.7879 incorrect 15/ 34 0.0000 1.0000 45.8022 15.7150 16.6453 Ritchie M07 0.0141 -0.7880 incorrect 11/ 34 0.0000 1.0000 44.3445 18.0978 18.8403 Grudinin M08 0.0140 -0.7886 incorrect 2/ 34 0.0000 1.0000 47.6505 14.0926 15.0105 Weng M04 0.0139 -0.7894 incorrect 14/ 34 0.0000 1.0000 45.6196 16.5862 17.7375 S.Grudinin M09 0.0139 -0.7895 incorrect 3/ 34 0.0000 1.0000 46.7461 15.2034 16.6432 Chang M06 0.0136 -0.7913 incorrect 4/ 34 0.0000 1.0000 47.6072 14.9581 15.9784 DelCarpio M04 0.0136 -0.7917 incorrect 10/ 34 0.0000 1.0000 47.6362 15.0454 15.7702 S.Venclovas M03 0.0136 -0.7917 incorrect 10/ 34 0.0000 1.0000 47.6363 15.0454 15.7702 Weng M07 0.0135 -0.7923 incorrect 15/ 34 0.0000 1.0000 46.5648 16.5049 17.6943 S.Seok M03 0.0132 -0.7945 incorrect 6/ 34 0.0000 1.0000 47.6739 16.0599 17.4677 S.Venclovas M02 0.0131 -0.7951 incorrect 10/ 34 0.0000 1.0000 49.9410 14.1759 15.5989 S.Kihara M05 0.0130 -0.7956 incorrect 1/ 34 0.0000 1.0000 48.5647 15.5069 16.3588 Chang M02 0.0129 -0.7960 incorrect 6/ 34 0.0000 1.0000 47.3660 17.0961 17.7999 S.Seok M01 0.0129 -0.7960 incorrect 9/ 34 0.0000 1.0000 46.8646 17.8829 18.8547 S.Moal M10 0.0128 -0.7971 incorrect 27/ 34 0.0000 1.0000 49.4500 15.1986 16.2597 S.Huang M05 0.0128 -0.7973 incorrect 33/ 34 0.0000 1.0000 49.5064 15.2032 16.2748 S.Vakser M02 0.0127 -0.7973 incorrect 14/ 34 0.0000 1.0000 48.6871 16.0396 17.1018 Moal M02 0.0127 -0.7973 incorrect 14/ 34 0.0000 1.0000 48.6871 16.0396 17.1018 S.Venclovas M04 0.0127 -0.7976 incorrect 21/ 34 0.0000 1.0000 49.6031 15.2422 16.3091 S.Vakser M03 0.0127 -0.7976 incorrect 21/ 34 0.0000 1.0000 49.6031 15.2422 16.3091 Weng M09 0.0126 -0.7981 incorrect 18/ 34 0.0000 1.0000 47.6725 17.7312 18.8246 S.Grudinin M08 0.0126 -0.7983 incorrect 6/ 34 0.0000 1.0000 48.6719 16.4508 17.7214 S.Venclovas M07 0.0126 -0.7984 incorrect 16/ 34 0.0000 1.0000 49.6441 15.4793 16.7329 S.Vakser M06 0.0126 -0.7985 incorrect 6/ 34 0.0000 1.0000 49.9408 15.2318 16.4423 Moal M09 0.0126 -0.7985 incorrect 6/ 34 0.0000 1.0000 49.9408 15.2318 16.4423 GRAMM-X M05 0.0126 -0.7985 clashes,incorrect 39/ 34 0.0000 1.0000 48.4936 16.7644 17.8103 S.Moal M05 0.0125 -0.7990 incorrect 24/ 34 0.0000 1.0000 49.4782 15.8443 17.1585 GRAMM-X M03 0.0125 -0.7992 incorrect 20/ 34 0.0000 1.0000 47.7577 18.1792 19.1019 S.Venclovas M09 0.0125 -0.7993 incorrect 22/ 34 0.0000 1.0000 48.9447 16.5885 18.0265 Moal M04 0.0124 -0.7996 incorrect 16/ 34 0.0000 1.0000 49.6487 15.9282 17.0133 S.Vakser M01 0.0124 -0.7996 incorrect 16/ 34 0.0000 1.0000 49.6488 15.9282 17.0133 S.Venclovas M01 0.0124 -0.7999 incorrect 20/ 34 0.0000 1.0000 49.7264 15.9493 17.2305 Chang M10 0.0124 -0.8000 incorrect 2/ 34 0.0000 1.0000 49.4234 16.3419 17.3440 S.Seok M09 0.0122 -0.8010 incorrect 7/ 34 0.0000 1.0000 48.2733 18.4211 19.0110 S.Venclovas M05 0.0119 -0.8031 incorrect 8/ 34 0.0000 1.0000 50.7088 16.2526 17.2449 S.Vakser M09 0.0119 -0.8031 incorrect 8/ 34 0.0000 1.0000 50.7088 16.2526 17.2449 S.Kihara M09 0.0118 -0.8038 incorrect 8/ 34 0.0000 1.0000 52.2921 15.1259 16.2590 S.Vakser M05 0.0118 -0.8038 incorrect 14/ 34 0.0000 1.0000 50.9638 16.2853 17.2594 Grudinin M06 0.0116 -0.8057 incorrect 3/ 34 0.0000 1.0000 49.8264 18.7250 19.2961 Grudinin M07 0.0114 -0.8067 incorrect 3/ 34 0.0000 1.0000 50.9257 17.7469 18.5875 Chang M05 0.0111 -0.8086 incorrect 6/ 34 0.0000 1.0000 50.0943 20.3284 21.0076 Moal M07 0.0105 -0.8133 incorrect 12/ 34 0.0000 1.0000 53.3819 18.3309 19.4485 Chang M08 0.0099 -0.8173 incorrect 5/ 34 0.0000 1.0000 55.4218 18.2943 19.5175 Fernandez-Recio M08 0.0091 -0.8229 incorrect 3/ 34 0.0000 1.0000 56.7171 20.6748 21.5255