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Hydrogen bond occurrences in LEUS simulations for systems 1–4. Reweighted percentages higher than 2 % are reported.
| H‐bond | System | ||||
|---|---|---|---|---|---|
| type | 1 | 2 | 3 | 4 | |
| sugar‐peptide | HN2−O | 4.7 % | 7.3 % | – | – |
| HN2−OX | 5.2 % | 6.9 % | – | – | |
| H−O5 | – | – | 2.6 % | 6.5 % | |
| HT−O5 | – | – | – | 5.4 % | |
| peptide‐peptide | HT−OX | 2.4 % | – | 4.0 % | – |
| sugar‐sugar | HO4−O6 | 2.5 % | 2.7 % | – | – |
