International Journal of Peptides / 2015 / Article / Tab 4

Research Article

In Silico Conformational Analysis of the Short-Sequence Hypomurocin A Peptides

Table 4

Proportions (in %) of the (+), (−), and trans rotamers for the side-chains of the amino acids of HM A peptides. Xaa3 = Val/Ile, Xaa4 = Val/Leu/Ile, and Xaa8 = Leu/Ile.

RotamersD-Iva1Gln2Xaa3Xaa4Leu7Xaa8Leuol11

HM A-1
(+)22.022.020.114.414.516.3
(−)54.550.351.348.547.551.1
Trans 23.527.728.637.138.032.6

HM A-2
(+)45.719.722.220.915.114.713.1
(−)30.052.251.552.646.548.057.5
Trans 24.328.126.326.538.437.329.4

HM A-3
(+)18.821.713.314.742.215.9
(−)57.848.946.646.123.650.5
Trans 23.429.440.139.234.233.6

HM A-4
(+)20.149.024.417.015.514.4
(−)52.721.446.544.545.253.6
Trans 27.229.629.138.539.332.0

HM A-5
(+)18.647.641.517.315.514.8
(−)55.322.424.046.345.450.3
Trans 26.130.034.536.439.134.9

HM A-5a
(+)21.940.515.615.943.413.8
(−)52.723.743.443.519.553.5
Trans 25.435.841.040.637.132.7