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H-bonds analysis for tetrapeptideds m7 and m8 performed on the last 200 ns of the aMD trajectories.
| Acceptor | Donor | Fraction% | Avg Dist (Å)a | Avg Ang (°)b |
|---|---|---|---|---|
| m7 | ||||
| Ac(O) | β-2(NH) | 51.6 | 3.0 | 138.4 |
| β-2(O) | β-4(NH) | 35.4 | 3.1 | 135.9 |
| m8 | ||||
| Ac(O) | β-2(N) | 74.1 | 3.0 | 139.8 |
| β-2(O) | β-4(N) | 50.8 | 3.1 | 135.6 |
A donor-acceptor distance cutoff of 4.0 Å was requested.
A donor-H···acceptor angle cutoff of 110° was requested.
