Figure 4
From: Sampling the conformation of protein surface residues for flexible protein docking
Distribution of the SCMF-filtered conformations of a patch. We consider a patch on the receptor of the complex 1AKJ (illustrated in Figure 1) and plot the energies of the corresponding 3888 filtered conformations versus their all-atom RMSDs to the bound conformation of the patch. We observe a clustering of these conformations in three main groups, labeled group I, group II, and group III that are mostly defined according to the values of the χ1 angle of one tryptophan in the patch, named T (see text for details). Note that this graph shows that many good conformations for the patch have been retained by the filtering (88 of these are within 1 Å RMSD of the bound conformation of the patch).