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. 2020 Jan 7;6(1):e03158. doi: 10.1016/j.heliyon.2020.e03158

Table 6.

The binding energy, Amino acid residues, Hydrogen bond (bond length Å) of some selected ligands.

S/N Binding energy (Kcal/mol) Amino Acid Residues Hydrogen Bond (bond length Å)
22 -10.4 LEU718, LEU844, MET766, VAL726
ALA743, LYS745 & MET790
MET793(2.49, 2.05 & THR854(3.77)
17 -10.3 LEU718, LEU844, MET766, VAL726, LA743 LYS745 & MET790 MET793(2.61, 2.16) & LYS745(2.88)
16 -10.2 LEU718, LEU844, MET766, VAL726, ALA743, LYS745 & MET790 MET793 (2.54, 2.13) LYS745 (2.82) & ASP800 (3.78)
10 -10.1 ALA743, LYS745, MET790, ARG841, VAL726 & LEU844 ARG841(2.75, 3.04) LYS745(2.48), LEU788(3.58) & PHE723(3.50)