International Journal of Peptides / 2015 / Article / Tab 5

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. Xaa1 = Aib/D-Iva, Xaa4 = Val/Leu/Ile, and Xaa8 = Leu/Ile.

Intramolecular H-bonds

H-bondsHM A-1HM A-2HM A-3HM A-4HM A-5HM A-5a

Xaa1 Xaa411.413.114.012.710.813.3
Gln2 Aib510.08.812.910.09.310.1
Xaa4 Leu78.012.39.36.27.97.2
Aib5 Xaa812.216.211.213.211.59.2
Pro6 Aib911.911.211.210.011.110.4
Xaa8 Leuol118.716.77.77.37.58.7

H-bondsHM A-1HM A-2HM A-3HM A-4HM A-5HM A-5a

Xaa1 Aib52.93.22.32.51.52.9
Xaa3 Leu71.10.11.11.50.71.6
Xaa4 Xaa81.22.71.21.31.91.2
Aib5 Aib92.55.63.12.83.21.5
Leu7 Leuol110.90.61.41.31.01.9