| Entry | Main protease 1IYL | Entry | Main protease 2Y7L | ||||||
| Hydrogen Bond | Hydrophobic Bond | Hydrogen Bond | Hydrophobic Bond | ||||||
| Residues | Distance (Å) | Residues | Distance (Å) | Residues | Distance (Å) | Residues | Distance (Å) | ||
| 1 | LYS317 | 2.23039 | THR271 | 3.69806 | 1 | - | - | TYR23 | 5.09622 |
|
| SER318 | 1.84865 |
|
| 2 |
|
| TRP294 | 4.3049 |
|
| SER313 | 3.52643 |
|
|
|
|
| TYR21 | 4.54444 |
|
| GLU309 | 2.24097 |
|
|
|
|
|
|
|
| 2 | TYR225 | 2.34517 | TYR225 | 4.71035 |
|
|
| TRP294 | 5.15088 |
|
| TYR335 | 2.63869 | PHE339 | 4.95741 |
|
|
| TRP295 | 4.8688 |
|
| LEU451 | 3.76317 | TYR354 | 4.98797 | 3 | TRP295 | 1.93982 | VAL22 | 3.41107 |
|
| TYR354 | 3.18967 | HIS227 | 4.82301 |
| TRP295 | 2.17863 | VAL161 | 3.63147 |
|
|
|
| PHE339 | 4.97855 |
|
|
| VAL161 | 5.22052 |
| 3 | ASN392 | 2.50151 | TYR225 | 3.97387 |
|
|
| TYR23 | 5.22398 |
|
| TYR225 | 3.6956 | PHE240 | 4.1921 |
|
|
| PHE225 | 5.40655 |
|
|
|
| PHE115 | 4.93228 |
|
|
| TYR297 | 3.41107 |
|
|
|
| PHE339 | 5.05988 | 4 | SER170 | 2.74323 | TRP294 | 5.96634 |
|
|
|
| TYR354 | 5.084 |
| VAL22 | 3.367 | TRP294 | 4.35596 |
| 4 | LEU451 | 3.62004 | LEU394 | 3.78415 |
|
|
| VAL161 | 3.65579 |
|
|
|
| PHE117 | 5.77363 |
|
|
| VAL161 | 5.39745 |
|
|
|
| TYR225 | 4.91492 |
|
|
| ILE167 | 4.88157 |
| 5 | - | - | TYR354 | 5.08986 |
|
|
| TYR166 | 5.31109 |
|
|
|
| PHE115 | 3.66661 | 5 | ILE167 | 3.23925 | TRP294 | 4.83727 |
|
|
|
| TYR225 | 5.24048 |
|
|
| VAL22 | 5.44841 |
| 6 | TYR225 | 2.16459 | VAL108 | 5.0892 |
|
|
| TYR21 | 5.12941 |
|
|
|
| PHE240 | 4.64152 | 6 | - | - | TYR23 | 4.77561 |
|
|
|
| PHE115 | 5.273 |
|
|
| VAL19 | 4.43868 |
|
|
|
| PHE339 | 4.77004 |
|
|
| VAL22 | 5.18635 |
| 7 | TYR225 | 1.80472 | LEU394 | 3.98431 |
|
|
| PRO29 | 4.34096 |
|
| LEU451 | 3.69646 | PHE339 | 5.38132 | 7 | - | - | VAL16 | 3.75531 |
|
|
|
| PHE117 | 5.05935 |
|
|
| VAL161 | 3.9627 |
|
|
|
| TYR225 | 5.22236 |
|
|
| TYR21 | 5.26821 |
|
|
|
| PHE339 | 4.68098 |
|
|
| TYR297 | 4.94294 |
|
|
|
| TYR354 | 5.11543 |
|
|
|
|
|
|
|
|
| PHE240 | 4.51499 |
|
|
|
|
|
|
|
|
| HIS227 | 4.44495 |
|
|
|
|
|
| Fluconazole | TYR225 | 2.11774 | PHE240 | 3.89271 | Fluconazole | THR168 | 2.44774 | TRP294 | 4.36894 |
|
| ASN392 | 2.89688 | PHE115 | 5.05978 |
| THR168 | 3.0121 |
|
|
|
| HIS227 | 3.32242 | PHE339 | 5.28076 |
| ILE167 | 3.68018 |
|
|
|
| TYR225 | 2.87209 |
|
| Voriconazole | TRP295 | 3.06867 | TRP294 | 5.66495 |
| Voriconazole | THR211 | 2.93309 | LEU451 | 3.69505 |
| TRP294 | 3.03524 | TRP294 | 4.31418 |
|
|
|
| PHE117 | 4.33105 |
| RP295 | 5.66495 |
|
|
|
|
|
| TYR225 | 5.17445 |
| THR293 | 4.31418 |
|
|