Compounds | Mean (ΔG) (Kcal/mol) | Number of H-bond | Amino Acid Residues involved in H-bond |
---|---|---|---|
Rehin | −7.91 | 3 | ARG120, TYR355, TYR385 |
Catenarin | −7.30 | 3 | ARG120, TYR385, SER530 |
Emodin | −7.27 | 3 | ARG120, TYR385, SER530 |
Emodic acid | −7.69 | 3 | ARG120, TYR355, TYR385 |
Physcoin | −7.84 | 3 | ARG120, TYR385, SER530 |
Chrysophanol | −7.48 | 1 | GLY526 |
Damnacanthal | −7.78 | 2 | TYR355 |
Alizarin | −6.83 | nil | NONE |
Aloe-emodin | −7.28 | 2 | TYR355, GLY526 |