Table 5.
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 |
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.
Reference.20