Table 3.
Isolated and network (bold and italic) aromatic–aromatic interactions of SARS-CoV-2 (5R80) and SARS (2H2Z)
| Protein | Position | Residue | Position | Residue | D(centroid–centroid) | Dihedral angle |
|---|---|---|---|---|---|---|
| SARS-CoV-2 (5R80) | 8 | PHE | 150 | PHE | 6.77 | 45.38 |
| 37 | TYR | 103 | PHE | 5.27 | 88.61 | |
| 101 | TYR | 103 | PHE | 5.7 | 133.64 | |
| 101 | TYR | 159 | PHE | 6.78 | 118.46 | |
| 103 | PHE | 159 | PHE | 6.44 | 74.2 | |
| 150 | PHE | 159 | PHE | 6.43 | 56.09 | |
| 112 | PHE | 161 | TYR | 5.41 | 142.21 | |
| 134 | PHE | 182 | TYR | 6.33 | 164.01 | |
| 161 | TYR | 182 | TYR | 6.47 | 150.59 | |
| 3 | PHE | 291 | PHE | 4.96 | 130.9 | |
| 126 | TYR | 140 | PHE | 6.38 | 64.71 | |
| 218 | TRP | 219 | PHE | 5.96 | 104.81 | |
| SARS (2H2Z) | 3 | PHE | 300 | CYS | 4.72 | 116 |
| 54 | TYR | 44 | CYS | 4.29 | 52.78 | |
| 66 | PHE | 22 | CYS | 4.61 | 29.56 | |
| 112 | PHE | 160 | CYS | 4.18 | 149.49 | |
| 126 | TYR | 128 | CYS | 4.58 | 86.27 | |
| 181 | PHE | 85 | CYS | 4.87 | 85.18 | |
| 182 | TYR | 130 | MET | 4.84 | 149.68 | |
| 209 | TYR | 264 | MET | 4.98 | 8.08 | |
| 230 | PHE | 265 | CYS | 4.58 | 166.08 |