Composition of the Sc and Se binding sites of vSGLT and PutP
The binding site residues in vSGLT and PutP are based on the clusters with averagely more favored MM/GBSA binding energy, i.e., clusters 2 and 3 for vSGLT and clusters 1 and 3 for PutP. Residues within 4.5 Å of the ligand in >50% of the frames in each cluster are listed here.