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.

Rotamers	D-Iva^1	Gln^2	Xaa^3	Xaa^4	Leu^7	Xaa^8	Leuol^11
HM A-1
(+)	—	22.0	22.0	20.1	14.4	14.5	16.3
(−)	—	54.5	50.3	51.3	48.5	47.5	51.1
Trans	—	23.5	27.7	28.6	37.1	38.0	32.6
HM A-2
(+)	45.7	19.7	22.2	20.9	15.1	14.7	13.1
(−)	30.0	52.2	51.5	52.6	46.5	48.0	57.5
Trans	24.3	28.1	26.3	26.5	38.4	37.3	29.4
HM A-3
(+)	—	18.8	21.7	13.3	14.7	42.2	15.9
(−)	—	57.8	48.9	46.6	46.1	23.6	50.5
Trans	—	23.4	29.4	40.1	39.2	34.2	33.6
HM A-4
(+)	—	20.1	49.0	24.4	17.0	15.5	14.4
(−)	—	52.7	21.4	46.5	44.5	45.2	53.6
Trans	—	27.2	29.6	29.1	38.5	39.3	32.0
HM A-5
(+)	—	18.6	47.6	41.5	17.3	15.5	14.8
(−)	—	55.3	22.4	24.0	46.3	45.4	50.3
Trans	—	26.1	30.0	34.5	36.4	39.1	34.9
HM A-5a
(+)	—	21.9	40.5	15.6	15.9	43.4	13.8
(−)	—	52.7	23.7	43.4	43.5	19.5	53.5
Trans	—	25.4	35.8	41.0	40.6	37.1	32.7