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Table 2 Average dihedral angles for PC-73 over the last 5 ns of simulation with deviation in parentheses

From: Comparison of interactions between beta-hairpin decapeptides and SDS/DPC micelles from experimental and simulation data

 

DPC

SDS

 

Φ

Ψ

Φ

Ψ

1

0

167.9 (7.8)

0

155.0 (13.4)

2

-97.9 (7.0)

93.7 (5.1)

-115.5 (15.6)

136.5 (10.8)

3

-97.5 (4.7)

135.4 (6.5)

-105.3 (14.7)

131.4 (8.8)

4

-109.0 (5.8)

-144.2 (9.7)

-96.2 (8.7)

-74.1 (7.7)

5

-83.1 (9.1)

-56.1 (5.1)

-102.0 (7.6)

-99.5 (10.3)

6

-86.8 (6.1)

-57.8 (6.7)

-102.3 (9.6)

-60.0 (4.7)

7

-105.7 (7.6)

164.4 (5.0)

-88.1 (5.7)

121.6 (8.7)

8

-135.7 (5.4)

132.2 (5.3)

-94.6 (6.7)

69.2 (9.6)

9

-109.3 (6.3)

120.7 (5.8)

-91.6 (8.2)

130.7 (8.8)

10

-100.8 (5.7)

0

-116.1 (12.5)

0