Fig. 3.

The closest matching artificial interface to each of the native interfaces from PDB150. Scatter plots of rmsd for interfacial residues aligned between two interfaces versus (A) fraction of aligned residues f_res and (B) fraction of aligned contacts f_con. Each point is color-coded according to the IS-score. Histograms of rmsd, f_res, and f_con are shown in bar plots. Two examples are shown: (C) HI0074 (PDB and chain IDs: 1jog_AB), where the monomer structures of the artificial and real structures are similar, and (D) thrombin/antithrombin (1tb6_HI), where the closest monomer structures are dissimilar. The experimental and model complexes are shown in blue/red and cyan/orange, respectively. The Right snapshot shows the optimal interface alignment reported by iAlign; the C_α atoms of aligned residues are shown in a Van der Waals representation, and the noninterface regions are dimmed.