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Table 1 Average dihedral angles for PC-72 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

 

-176.3 (25.0)

 

144.9 (18.6)

2

-97.9 (8.5)

159.7 (12.2)

-82.3 (8.2)

130.5 (10.3)

3

-102.0 (7.1)

93.7 (7.1)

-125.0 (11.9)

165.5 (6.2)

4

-102.3 (4.9)

148.2 (11.6)

-108.3 (9.6)

136.5 (8.29)

5

-137.2 (11.4)

-79.0 (5.9)

-93.1 (6.2)

-79.6 (9.2)

6

-109.1 (6.9)

-84.0 (5.9)

-103.6 (8.0)

-94.9 (7.9)

7

-103.8 (6.9)

-66.1 (4.6)

-99.7 (8.0)

-60.3 (4.5)

8

-84.0 (5.0)

133.7 (8.3)

-86.6 (5.0)

109.8 (7.0)

9

-114.2 (9.3)

134.7 (8.3)

-92.1 (5.3)

73.3 (9.0)

10

-104.9 (7.0)

121.1 (9.3)

-102.5 (9.1)

133.8 (8.5)

11

-105.5 (8.0)

 

-105.6 (10.0)

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