Table 1.
Protein | Donor | Acceptor | Occupancy∗ |
---|---|---|---|
WT | HN S621 | O P617 | 0.49 |
HN S621 | O H618 | 0.51 | |
HG1 S621 | NE2 H562 | 0.45 | |
HG1 S624 | O S621 | 0.98 | |
HG1 T618 | NE2 H562 | 0.55 | |
NH C566 | H562 O | 0.88 | |
HN H562 | A558 O | 0.89 |
Occupancy refers to the average lifetime of the particular H-bond in the MD simulations.