Table 2. Main hydrogen bond interactions involving three mutations in PR1/PR2.
| Hydrogen bondsa | occupancyb | |||
|---|---|---|---|---|
| Acceptor…donor | DRV + PR1 | DRV + PR2 | APV + PR1 | APV + PR2 |
| Leu23N-H…Asn83O | 99.9 | 92.1 | 99.6 | 92.3 |
| Glu34N-H…Asn83OD1 | 99.7 | 90.4 | 99.9 | 90.6 |
| Gly86N-H…Thr31OG1 | 90.9 | 0 | 92.8 | 72.5 |
| Thr31N-H…Asn88OD1 | 84.9 | 13.5 | 87.2 | 41.3 |
| Gly52N-H…Gly49O | 84.5 | 16.3 | 86.8 | 35.7 |
| Gly52N-H…Ile50O | 82.1 | 24.4 | 73.4 | 25.1 |
| Gly49′N-H…Ile50O | 21.5 | 68.6 | 19.6 | 45.7 |
aThe hydrogen bonds are determined by the acceptor…donor distance of <3.5 Å and acceptor…H-donor angle of >120°.
bOccupancy is defined as the percentage of simulation time that a specific hydrogen bond exists, the hydrogen bonds occurring less than 10% of the simulation are not shown.