| Compound/ligand | Binding affinity (kcal/mol) | H-bond | Residual amino acid interactions | Hydrophobic/electrostatic | Van der Waals |
| 1 | −7.9 | Ala-337 | Lys-260 and Tyr-302 | Asp-303, Lys-260, Gln-338, Asp-339, and Lys-342 | 2 | −8.0 | Asp-303, salt bridge; attractive charge, Asn-29 | — | Arg-264, Lys-342, Tyr-302, Lys-260, and Asp-303 | 3 | −8.2 | Lys-260 and Asn-299 | Asp-303, Lys-260, and Leu-343 | Asp-339, Tyr-340, Lys-342, Gln-338, Asp-346, Arg-347, Asp-261, Arg-264, Tyr-302, Asp-303, and Tyr-302 | 4 | −8.3 | Thr-366 and Ala-358 | Ile-361 and His-365 | Thr-353, Asn-369, Ser-362, Thr-366, and Ala-358 | 5 | −8.7 | Lys-260, Arg-264, Asn-299, and Tyr-302 | Lys-260 | Asp-346, Ile-263, Asp-303, Asn-299, Tyr-302, Arg-347, Leu-343, Gln-338, Asp-339, and Lys-342 | 6 | −8.5 | Lys-260, Asp-339, Gln-338, Asn-299, and Asp-261 | Asp-303, Tyr-302, Lys-342, Leu-343, and Lys-260 | Asn-299, Asp-303, Tyr-302, and Arg-264 | Ciprofloxacin | −8.9 | Ser-362, Thr-366, and Asn-369 | His-365 and Ile-361 | Ala-358, Asn-369, Thr-348, Ile-361, and Met-467 |
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