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

Table 2

Populations (in %) of the types I and III -turns identified in certain tetrapeptide units of the HM A molecules. Xaa¹ = Aib/D-Iva, Xaa³ = Val/Ile, Xaa⁴ = Val/Leu/Ile, and Xaa⁸ = Leu/Ile.

Types I and III -turns
Tetrapeptide units	HM A-1	HM A-2	HM A-3	HM A-4	HM A-5	HM A-5a
Xaa^1–Gln^2–Xaa^3–Xaa^4	9.6	8.9	8.6	8.6	8.3	11.5
Gln^2–Xaa^3–Xaa^4–Aib^5	17.1	5.2	17.7	15.7	16.2	15.1
Xaa^4–Aib^5–Pro^6–Leu^7	6.1	9.6	6.3	4.4	5.7	5.8
Aib^5–Pro^6–Leu^7–Xaa^8	7.1	11.3	9.6	7.2	7.9	8.7
Pro^6–Leu^7–Xaa^8–Aib^9	14.5	7.4	17.1	13.4	11.6	12.4
Xaa^8–Aib^9–Pro^10–Leuol^11	8.6	12.9	8.2	8.9	7.6	9.1