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H-bond interactions at the active site
| Interaction | OMPT1 | OMPT2 | OMPT3a | OMPT3b | OMPT3c |
|---|---|---|---|---|---|
| D210-H212 | 100 | 100 | 100 | 100 | 100 |
| D210-E27 | — | — | 1.6 | 40.5 | — |
| D83-S99 | 7.0 | 31.9 | 2.4 | 13.5 | 31.7 |
| D83-H101 | — | 31.5 | 2.4 | 1.6 | 0.8 |
| D83-w-H212 | 15.8 | 52.1 | 78.6 | 67.5 | 49.2 |
| D83-w-D85 | 72.9 | 58.1 | 93.7 | 81.7 | 96.0 |
| D85-S40 | 81.4 | 55.7 | 77.0 | 93.7 | 98.4 |
The values indicate percentages of total simulation time for which a given H-bond was present. An interaction is recorded only if it was present for >30% in at least one simulation.
