Table 2.
Predicted bonds between interacting atoms of POM and ACE2-RBD.
| S. No. | Amino acid | Amino acid atom | POM atom | Distance | Nature of interaction |
|---|---|---|---|---|---|
| 1 | A:ASP30 | Negative | W(Positive) | 4.31 | Electrostatic |
| 2 | B:ASP405 | Negative | W(Positive) | 5.59 | Electrostatic |
| 3 | A:ASP30 | Negative | W(Positive) | 5.02 | Electrostatic |
| 4 | B:GLU406 | Negative | W(Positive) | 4.44 | Electrostatic |
| 5 | B:GLU406 | Negative | W(Positive) | 5.52 | Electrostatic |
| 6 | B:GLU406 | H-Acceptor | O(H-Donor) | 3.24 | Hydrogen Bond |
| 7 | A:ASP30 | H-Acceptor | O(H-Donor) | 3.22 | Hydrogen Bond |
| 8 | A:ALA387 | H-Acceptor | O(H-Donor) | 3.01 | Hydrogen Bond |
| 9 | A:ASN33 | H-Donor | O(H-Acceptor) | 3.07 | Hydrogen Bond |
| 10 | A:HIS34 | H-Donor | O(H-Acceptor) | 2.67 | Hydrogen Bond |
| 11 | A:HIS34 | H-Donor | O(H-Acceptor) | 2.49 | Hydrogen Bond |
| 12 | A:ARG393 | H-Donor | O(H-Acceptor) | 2.62 | Hydrogen Bond |
| 13 | B:ARG403 | H-Donor | O(H-Acceptor) | 2.53 | Hydrogen Bond |
| 14 | B:ARG403 | H-Donor | O(H-Acceptor) | 2.45 | Hydrogen Bond |
| 15 | B:ARG403 | H-Donor | O(H-Acceptor) | 2.36 | Hydrogen Bond |
| 16 | B:ARG408 | H-Donor | O(H-Acceptor) | 2.10 | Hydrogen Bond |
| 17 | B:ARG408 | H-Donor | O(H-Acceptor) | 2.56 | Hydrogen Bond |
| 18 | B:ARG408 | H-Donor | O(H-Acceptor) | 2.58 | Hydrogen Bond |
| 19 | B:ARG408 | H-Donor | O(H-Acceptor) | 1.89 | Hydrogen Bond |
| 20 | B:GLN409 | H-Donor | O(H-Acceptor) | 2.15 | Hydrogen Bond |
| 21 | B:GLN409 | H-Donor | O(H-Acceptor) | 3.09 | Hydrogen Bond |
| 22 | B:LYS417 | H-Donor | O(H-Acceptor) | 2.86 | Hydrogen Bond |
| 23 | A:PRO389 | H-Donor | O(H-Acceptor) | 3.45 | Hydrogen Bond |
| 24 | B:GLY416 | H-Donor | O(H-Acceptor) | 3.30 | Hydrogen Bond |