Table 2.
Percentage occupation of hydrogen bonding between inhibitor and specific residues of SAR-CoV enzyme
| Residue | Type | %Occupation |
|
|---|---|---|---|
| SARS-LPV | SARS-RTV | ||
| T26 | OG1_HG1---O3_LPV | 18.7 | – |
| T26 | LPV_N4_H47---OG1 | 22.8 | – |
| T26 | LPV_N4_H47---O | 36.9 | – |
| H41 | RTV_N2_H5---NE2 | – | 1.7 |
| Y118 | OH_HH---O5_LPV | 2.8 | – |
| N119 | LPV_N4_H47---OD1 | 3.3 | – |
| C145 | RTV_N2_H5---SG | – | 56.3 |
| C145 | SG_HG---O3_RTV | – | 4.4 |
| E166 | N_H---N1_RTV | – | 29.9 |
| Q189 | NE2_HE21---O1_LPV | 9.9 | – |
| Q189 | NE2_HE21---N1_RTV | – | 11.6 |
| Q189 | NE2_HE21---S1_RTV | – | 7.6 |
| Q189 | NE2_HE21---O2_RTV | – | 1.3 |