Table 2. The probability of H-bond between ADA and FR0 during MD simulation.
Donor | Acceptor | Probability |
---|---|---|
FR0-C23 | ASP19-OD2 | 53.43% |
FR0-C23 | ASP19-OD1 | 48.55% |
FR0-C23 | ASP296-OD2 | 46.10% |
FR0-C17 | HIS17-NE2 | 45.75% |
FR0-N29 | TRP117-CH2 | 41.73% |
FR0-N26 | PHE65-CD1 | 30.08% |
FR0-N28 | MET155-CE | 28.87% |
FR0-N26 | MET69-SD | 27.24% |
FR0-N29 | TRP117-CZ3 | 24.59% |
FR0-C18 | HIS17-NE2 | 24.45% |
FR0-C17 | HIS17-CE1 | 22.94% |
FR0-N29 | LEU106-CD1 | 22.23% |