DockQ: A Quality Measure for Protein-Protein Docking Models

Sankar Basu and Björn Wallner
Linköing University
PLoS One. 2016 Aug 25;11(8):e0161879. http://dx.plos.org/10.1371/journal.pone.0161879

DockQ, a continuous protein-protein docking model quality measure derived by combining Fnat, LRMS, and iRMS to a single score in the range [0, 1] that can be used to assess the quality of protein docking models.

By using DockQ on models from CAPRI it is possible to almost completely reproduce the original CAPRI classification into Incorrect, Acceptable, Medium and High quality. An average PPV of 94% at 90% Recall demonstrating that there is no need to apply predefined ad-hoc cutoffs to classify docking models, see Figure below.

DockQ is available at http://github.com/bjornwallner/DockQ/

If Fnat, LRMS, and iRMS are already calculated, use the formula above to calculate the DockQ score.

Distribution of DockQ score for Incorrect, Acceptable, Medium, and High quality models, respectively for (A) MOAL-set, and (B) CAPRI-set.
The colored bars corresponding to each CAPRI class represents frequency distribution of models predicted to be falling in a particular class normalized by the total number of models in that class.