... with the higher inhibitory activity of the cEL peptide and the verylow inhibitory activity of the cYT peptide compared toother peptides. The flanking residue of the b-turn, i.e. Tyr3 of the cVYpeptide ... further dockingstudies with flexible docking.During flexible docking, the dihedrals of backbone of the ligand were kept rigid, whereas the dihedrals of side chainwere allowed to rotate. After docking, ... suggestive of a b-turn in the peptide and the proximity of amide protons due to compact nature of the structure. However, t he coupling constant of most of the amide protons was in the range of 6–8...