Table 2.
Characterization of the predicted allosteric sites on SARS-CoV-2 prefusion S-protein based on site attributes.
| Predicted sites | Druggability score (Dscore) | SiteScore | Surface-exposure | Pocket Size | Pocket Volume (A [3]) | Hydrophobicity | Hydrophilicity | Hydrogen donor/acceptor |
|---|---|---|---|---|---|---|---|---|
| Site 1 | 0.893 | 0.935 | 0.933 | 482 | 245.82 | 0.168 | 0.336 | 0.875 |
| Site 2 | 1.046 | 0.899 | 0.794 | 503 | 294.31 | 0.243 | 0.203 | 1.922 |
| Site 3 | 0.842 | 0.823 | 0.862 | 319 | 208.6 | 0.142 | 0.822 | 1.886 |
| Site 4 | 0.803 | 0.817 | 0.852 | 263 | 214.30 | 0.111 | 0.613 | 2.539 |
| Site 5 | 0.738 | 0.801 | 0.800 | 218 | 148.8 | 0.353 | 0.705 | 1.294 |
| Site 6 | 0.711 | 0.786 | 0.696 | 267 | 237.64 | 0.392 | 0.884 | 0.634 |