Table 2.
Residue-wise binding energy calculated for the mutated residues in RBD.
| Mutated Residue | Change in R-group | Wild-type (kJ/mol) | Omicron (kJ/mol) |
|---|---|---|---|
| ASP/GLY-339 | Negative to Neutral | 1.7602 | 157.4091 |
| LEU/SER-371 | Neutral to Positive | 2.6324 | 1.5017 |
| PRO/SER-373 | Neutral to Positive | 2.6935 | 2.7563 |
| PHE/SER-375 | Neutral to Positive | −0.2065 | −0.0565 |
| ASN/LYS-417 | Negative to Positive | −230.7012 | −4.1475 |
| LYS/ASN-440 | Positive to Negative | 2.7283 | −240.3853 |
| SER/GLY-446 | Positive to Neutral | −2.5231 | −1.1289 |
| ASN/SER-477 | Negative to Positive | −2.5193 | −0.3975 |
| LYS/THR-478 | Positive to Positive | 0.652 | −206.7846 |
| ALA/GLU-484 | Neutral to Negative | 233.7813 | −0.4936 |
| LYS/GLN-493 | Positive to Negative | −0.3732 | −222.7693 |
| SER/GLY-496 | Positive to Neutral | 1.2866 | 3.175 |
| ARG/GLN-498 | Positive to Negative | −0.2806 | −265.8465 |
| TYR/ASN-501 | Positive to Negative | −7.8806 | −14.9393 |
| HIS/TYR-505 | Positive to Positive | −16.9694 | −11.9467 |