Figure 3.

Correlation between different measures of model accuracy. Interface side‐chain RMSD (S‐RMSD) versus interface backbone RMSD (I‐RMSD) for models submitted to CAPRI (regression line in red) (A), and models generated by FlexPepDock refinement starting from the native structure (C). Models are colored according to CAPRI classification (medium accuracy—green; acceptable model—blue; incorrect models—magenta), and Target: 0 ‐ T60, X‐ T65, and □‐T67. (B,D) Models suggested for reclassification, based on their accurate side chains (see text for more details; coloring as in Fig. 1). [Color figure can be viewed at wileyonlinelibrary.com]