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| Molecules | Binding Energy (kcal/mol) | Hydrogen bonding interactions | Key Hydrophobic interactions |
|---|---|---|---|
| Natural ligind (3-oxo-C12HSL) | −9.38 | Trp60, Ser129, Tyr56, Asp73 | Phe101, Leu110, Ala105, Trp88, Tyr93, Gly126, Ala50, Tyr47, Tyr64, Thr75 |
| Cyclo(Trp-Ser) | −8.40 | Arg61, Tyr47, Ser129 | Leu40, Gly38, Ala127, Ile52, Gly126, Ala50, Leu36, Tyr64 |
