Compounds | Affinity (kcal/mol) | H-bond | Residual Amino acid Interactions | |
---|---|---|---|---|
Hydrophobic/Pi-Cation/Pi-Anion/ Pi-Alkyl interactions | Van-der Walls interactions | |||
1 | − 5.2 | Thr-147 | Leu-149 | Thr-44, Pro-45, Gly-46, Thr-50, Ile-119, Phe-120 |
2 | − 5.1 | Gly-46 | – | Cys-47, Thr-44, Pro-40, Leu-116, Phe-120, Arg-127, Gly-148, Leu-149 |
3 | − 4.5 | Asn-76, Arg-124 | Pro-40, Pro-45, Leu-116, Ile-119, Phe-120 | Cys-47, Thr-44, Gly-41, Ala-42, Arg-127, Thr-147 |
4 | − 4.8 | Thr-147 | Pro-45 | Thr-44, Ala-42, Leu-116, Ile-119, Phe-120, Arg-124 |
5 | − 4.9 | – | Cys-47, Pro-45, Ile-119, Phe-120 | Pro-40, Phe-43, Ala-42, Asn-76, Leu-116, Arg-124, Thr-147 |
Ascorbic Acid | − 4.9 | Cys-47, Thr-44, Gly-46, Thr-147 | Pro-40, Pro-45, Phe-120, Arg-127, Leu-149 | – |