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. 2020 Oct 7;320:114493. doi: 10.1016/j.molliq.2020.114493

Table 2.

Binding energy score and details of interacting residues.

Compound ID Energy score (kcal/mol) Hydrogen bond interacting residues Hydrophobic interactions
NPACT01552 −11 Gly496, Tyr453, GLn493, Ser494, Glu484 Lys417, Leu452, Tyr489, Phe456, Leu455
NPACT01557 −10.3 Thr500, Asn501, Gln498, TYr449, Glu484 Leu455
NPACT00631 −9.5 Asn501, Gln498, Gly496, Tyr449, Tyr453, Glu484 Tyr489, Phe456, Leu455