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. Author manuscript; available in PMC: 2012 Dec 13.
Published in final edited form as: J Med Chem. 2009 Aug 27;52(16):5164–5175. doi: 10.1021/jm900473p

Table 5.

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

Residues 1b 3 4 5 6
number of β-turns distance (Å) number of β-turns distance (Å) number of β-turns distance (Å) number of β-turns distance (Å) number of β-turns distance (Å)
C1α-C4α 3 7.86 ± 1.21 1 8.57 ± 0.62 3 8.08 ± 1.13 9 6.91 ± 0.41 0
C2α-C5α 20c 4.95 ± 0.71 11d 6.99 ± 1.08 6 7.00 ± 1.05 0 20 4.98 ± 0.33
C3α-C6α 0 8 7.39 ± 1.24 0e 0 0
C4α-C7α 0 0 17 5.37 ± 0.74 20f 3.98 ± 0.23 0
C5α-C8α 0c 20d 5.79 ± 0.39 17 5.46 ± 0.60 0 5g 7.05 ± 0.16
C6α-Bzl 19 6.32 ± 0.43 11 6.96 ± 0.57 17e 5.50 ± 0.36 18 6.56 ± 0.56 20h 5.21 ± 1.02
a

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.50 Bzl stands for the benzyl moiety at the C-terminus.

b

Reference.20