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. 2014 Sep 5;9(9):e103902. doi: 10.1371/journal.pone.0103902

Table 4. Averaged structural interaction fingerprints calculated over all successfully docked poses among two receptor conformations and 29 ligands presented for all identified interacting residues.

amino acid any backbone side chain polar hydrophobic H-bond acceptor H-bond donor aromatic charged
E12 1 0 1 0 1 0 0 0 0
E15 0.3 0 0.32 0 0.32 0 0 0 0
K43 1 0.20 1 0 1 0 0 0 0
G70 1 1 0 0 1 0 0 0 0
R71 1 0.77 1 0.41 1 0.41 0 0 0
C100 0.9 0 0.96 0.14 1 0.14 0 0 0
H101 1 0 1 0.14 1 0.14 0 0 0
Y120 1 0 1 0 1 0 0 1 0
V150 0.4 0 0.41 0 0.41 0 0 0 0
R471 1 1 1 0.36 1 0.36 0 0 0
E474 1 0 1 0.16 1 0 0 0 0.16
R475 0.3 0.14 0.36 0 0.36 0 0 0 0