| Compound/ligand | Binding affinity (kcal/mol) | H-bond | Residual amino acid interactions | Hydrophobic/electrostatic | Van der Waals |
| 1 | −7.1 | — | Trp-233, Pro-234, and Val-254 | Ile-204, Ile-257, Ala-256, Pro-205, Lys-206, Phe-208, Pro-255, Ser-280, Gly-279, and Phe-209 | 2 | −8.5 | Gln-34 | — | Ala-245, Phe-246, Arg-247, Ser-31, Asp-19, Arg-200, Ala-21, Thr-20, Thr-29, and His-24 | 3 | −9.2 | Gly-27 and Asn-242 | Ala-21, Ala-245, and His-24 | Leu-228, Thr-29, Gln-28, Phe-246, Arg-247, Gln-34, Leu-30, Asp-19, Ser-31, and Arg-200 | 4 | −8.8 | Gly-27 | Phe-246 | Ser-31, Asp-19, Arg-247, His-24, Ala-245, Tyr-25, Gln-28, Leu-228, Thr-29, and Ala-21 | 5 | −8.7 | Arg-200, Ser-226, and Ser-31 | Ala-21, Arg-200, and Thr-29 | Ala-245, Arg-247, Gln-34, Asp-19, Thr-20, Phe-246, Arg-200, His-24, Ala-21, Gly-198, and Thr-29 | 6 | −9.0 | Phe-208, Asn-84, and Lys-206 | Trp-233, Lys-206, Pro-234 | Lys-86, Ile-257, Phe-209, Pro-205, and Ile-204 | Ciprofloxacin | −9.3 | Asp-19 and Arg-200 | His-24 and Ala-21 | Asp-19, Ser-31, Ala-21, Ser-31, Thr-20, Thr-29, and Arg-200 |
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