Table 2.
Amino acids that promote the interaction between viral Spike and ACE2human proteins on the left side of the table. On the right side, molecules that have hydrogen bonding with (or near) amino acids that promote interactions between Sprotein-ACE2humam.
| Interface Sprotein-ACE2human interaction site | Molecule | Ranking* | hydrogen interaction location |
|---|---|---|---|
| Tyr (491Spike) - Glu (37ACE2) | 3223 | 16 | Ile (489 Spike) |
| Gly (488Spike) – Lys (353ACE2) | 3362 | 19 | Tyr (491 Spike) |
| Tyr (436Spike) – Gln (42ACE2) | 1629 | 12 | Gly (354 ACE2) |
| Tyr (436Spike) – Asp (38ACE2) | 2542 | 9 | Glu (37ACE2) |
| Tyr (436Sspike) – Asp (38ACE2) | 2600 | 12 | Tyr (491 Spike) |
| Arg (426Spike) – Glu (329ACE2) | 2600 | 23 | Tyr (491 Spike) |
| Thr (486Spike) – Tyr (41ACE2) | 2600 | 26 | Glu (37ACE2) |
*Ranking is the position of the conformation in the ranking of the molecular coupling of the respective molecule.