. Author manuscript; available in PMC: 2012 Apr 14.

Published in final edited form as: J Med Chem. 2011 Mar 2;54(7):2029–2038. doi: 10.1021/jm101023r

Table 5.

Number of β-turn structural elements and the distance between alpha carbons of i ^th and (i + 3)^rd residues.^a

	1^b		7
Residues	number of structures with β-turns	distance (Å)	number of structures with β-turns	distance (Å)
C¹α-C¹a	3	7.86 ± 1.21	12	6.85 ± 0.64
C²α-C⁵a	20	4.95 ± 0.71	20	5.93 ± 0.35
C⁶α-Bzl	19	6.32 ± 0.43	20	5.45 ± 0.21

Out of the best 20 calculated structures. The distance is the mean distance between two alpha carbons ± standard deviation (SD). The sequences with less than 7 Å distance between alpha carbons of i th and (i + 3) rd residues without helical structure were considered as a β-turn.⁴¹ Bzl stands for the benzyl moiety at the C-terminus.

Reference.¹³