Figure 6.

Analysis of the conformational variability within PDB ensembles in S^Full. (A) Averages of maximum C^α RMSD values calculated over all the possible pairs of PDB structures within the unbound (pink) and bound (green) ensembles, and between bound and unbound structures (magenta) of each mono- (light color) and multi- (dark color) partner protein. The standard error of the mean is represented with an error bar. The significance levels from pairwise Wilcoxon comparison tests between (mono, multi) pairs of distributions are reported with a star code (see Figure 2 legend). (B) Average C^α RMSF Z-scores (PDB ensembles) calculated over c_mono (cyan), c_{mono_in_multi} (blue), and c_multi (orange) residues in the S^Full data set. The standard error of the mean is represented with an error bar. The significance levels from pairwise Wilcoxon comparison tests are reported with a star code (see Figure 2 legend). Averages and significance levels calculated considering only the residues with the highest ConSurf conservation grade (G_cons = 9) are also reported in dark colors. (C) Dependence of PDB average C^α RMSF Z-scores (dots) from evolutionary conservation for c_mono (cyan), c_{mono_in_multi} (blue), c_multi (orange) residues. Residues are partitioned into 9 groups according to their ConSurf conservation grade (G_cons). A best-fit linear regression is also reported for each binding class.