Table 5 Hydrophobic interactions of top-ranked six ligands with the target protease.
Ligand ID | Index | AA Residue | Distance (Å) | Ligand Atom | Protein Atom |
|---|---|---|---|---|---|
2297 | 1 | GLU166(A) | 3.22 | 2889 | 1578 |
3172 | 1 | PHE140(A) | 3.62 | 2897 | 1336 |
2 | GLU166(A) | 3.50 | 2897 | 1578 | |
4434 | 1 | PHE140(A) | 3.94 | 2892 | 1336 |
2 | MET165(A) | 3.60 | 2890 | 1569 | |
3 | GLU166(A) | 3.06 | 2892 | 1578 | |
4440 | 1 | PHE140(A) | 3.89 | 2892 | 1336 |
2 | LEU141(A) | 3.95 | 2869 | 1351 | |
3 | MET165(A) | 3.73 | 2884 | 1569 | |
4 | GLU166(A) | 3.06 | 2892 | 1578 | |
5278 | 1 | MET165(A) | 3.42 | 2909 | 1569 |
2 | GLU 166(A) | 3.82 | 2905 | 1578 | |
3 | GLN 189(A) | 3.76 | 2912 | 1788 | |
4 | GLN 189(A) | 3.59 | 2871 | 1787 | |
5471 | 1 | GLU 166(A) | 3.92 | 2905 | 1578 |
2 | GLN 189(A) | 3.83 | 2913 | 1788 |
