Table 3.
Calculated binding free energies of the wild type and virtual mutant ACE2–RBD structures based on the sister complexes AE and BF
| GD | SZ3 | TOR2 | |
|---|---|---|---|
| Complex AE | |||
| Civet cat | −13.2 | −11.8 | −14.5 |
| Human | −14.1 | −10.9 | −15.8 |
| Mouse | −12.0 | −12.3 | −12.3 |
| Rat | −12.0 | −14.4 | −12.3 |
| Complex BF | |||
| Civet cat | −12.2 | −14.5 | −17.7 |
| Human | −10.7 | −12.3 | −14.0 |
| Mouse | −12.1 | −14.0 | −12.4 |
| Rat | −12.1 | −14.0 | −12.4 |
The unit for binding free energy is kcal/mol. The viral isolates include GD, SZ3 and TOR2. The host species comprise civet cat, human, mouse and rat. The energy values of wild type complexes are shown in boldface.