Protein-Protein Docking with Dynamic Residue Protonation States
Figure 5
Distributions of native and model interface hydrogen bonds.
Kernel density estimate curves for the number of (A) interface hydrogen bonds and (B) interface hydrogen bonds involving ionizable residues in the top-scoring models generated using pHDock (orange) and RosettaDock (grey), and the native crystal complexes (black) across the complete Docking Benchmark dataset. Frequency histograms of the fraction of (C) recovered interface hydrogen bonds and (D) recovered interface hydrogen bonds involving ionizable residues in the top-scoring models.