Figure 2.

Occurrence of interaction types at the S1R–ligand binding interface. (A) Residues with observed interactions, their position in the S1R sequence. (B) Percentages of occurrence of contacts C, interactions with the backbone of the residue B, and interactions with the side chain of the residue S. (C) Percentages of occurrence of chemical interactions: contacts C, polar P, hydrophobic H, HBs where the residue is acceptor A, HBs where the residue is donor D, aromatic Ar, and electrostatic with charged groups Ch. The S1R–ligand structures obtained by docking were used for calculations of the percentages of occurrence represented here.