Research Article
In Silico Conformational Analysis of the Short-Sequence Hypomurocin A Peptides
Table 5
Populations (in %) of the different types of
and
H-bonds for the HM A peptides. Xaa
1 = Aib/D-Iva, Xaa
4 = Val/Leu/Ile, and Xaa
8 = Leu/Ile.
| Intramolecular H-bonds |
| H-bonds | HM A-1 | HM A-2 | HM A-3 | HM A-4 | HM A-5 | HM A-5a |
| Xaa1 Xaa4 | 11.4 | 13.1 | 14.0 | 12.7 | 10.8 | 13.3 | Gln2 Aib5 | 10.0 | 8.8 | 12.9 | 10.0 | 9.3 | 10.1 | Xaa4 Leu7 | 8.0 | 12.3 | 9.3 | 6.2 | 7.9 | 7.2 | Aib5 Xaa8 | 12.2 | 16.2 | 11.2 | 13.2 | 11.5 | 9.2 | Pro6 Aib9 | 11.9 | 11.2 | 11.2 | 10.0 | 11.1 | 10.4 | Xaa8 Leuol11 | 8.7 | 16.7 | 7.7 | 7.3 | 7.5 | 8.7 |
| H-bonds | HM A-1 | HM A-2 | HM A-3 | HM A-4 | HM A-5 | HM A-5a |
| Xaa1 Aib5 | 2.9 | 3.2 | 2.3 | 2.5 | 1.5 | 2.9 | Xaa3 Leu7 | 1.1 | 0.1 | 1.1 | 1.5 | 0.7 | 1.6 | Xaa4 Xaa8 | 1.2 | 2.7 | 1.2 | 1.3 | 1.9 | 1.2 | Aib5 Aib9 | 2.5 | 5.6 | 3.1 | 2.8 | 3.2 | 1.5 | Leu7 Leuol11 | 0.9 | 0.6 | 1.4 | 1.3 | 1.0 | 1.9 |
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