eMatchSite: Sequence Order-Independent Structure Alignments of Ligand Binding Pockets in Protein Models
Figure 2
Prediction of aligned residue pairs using machine learning for SAH-binding proteins from the SOIPPA dataset.
The correlation between the actual pairwise Cα-Cα distances upon the reference alignment of binding sites and those predicted by SVR is shown for (A) crystal structures, (B) high-, and (C) moderate-quality protein models, respectively. (D) The ROC plot for the prediction of equivalent residue pairs using SVC; CS – crystal structures, HQ – high-quality, MQ – moderate-quality models, R – random prediction.