| Compound/ligand | Binding affinity (kcal/mol) | H-bond | Residual amino acid interactions | Hydrophobic/electrostatic/halogen | Van der Waals |
| 1 | −6.6 | — | Pro-79, Ile-78, Val-71, Ala-47, Val-43, Val-167, and Val-120 | Asn-46, Asp-73, Ile-94, Glu-50, Thr-165, and Arg-76 | 2 | −6.9 | Gly-77 | — | Asn-46, Glu-50, Asp-49, Asp-73, Thr-165, Gly-75, Ile-78, Pro-79, and Ile-94 | 3 | −7.1 | Asp-73 and Arg-76 | Arg-76, Glu-50, and Ile-78 | Ile-94, Ala-53, Arg-136, Pro-79, Gly-77, Gly-75, Thr-165, Ala-47, and Asn-46 | 4 | −7.1 | Arg-76, Gly-77, and Asp-73 | Glu-50, Thr-165, Gly-77, Ile-78, and Ala-47 | Pro-79, Gly-75, Val-71, Val-43, Val-167, and Val-120 | 5 | −7.4 | Thr-165, Ile-94, and Asp-49 | Glu-50, Ile-78, and Ile-94 | Val-120, Val-97, Ser-121, Asn-46, Gly-77, Asp-73, Arg-76, and Ala-53 | 6 | −7.3 | Gly-77 and Arg-136 | Arg-76, Glu-50, Pro-79, Ile-78, and Ile-94 | Ala-47, Asp-73, Gly-164, Thr-165, Asn-46, and Gly-75 | Ciprofloxacin | −7.6 | Asp-73, Asn-46, and Arg-76 | Glu-50, Arg-76, Gly-77 Asn-46, Ile-94, and Ile-78 | Pro-79, Thr-165, and Ala-47 |
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