Table 2 Summary of molecular dynamics results

1VII

36

5.3 / 4.7 (4–32)

17.8 h (2 ns)

5.8 / 4.8 (4–32)

1E0M

37

5.5 / 4.0 (7–30)

26.3 h (4 ns)

8.7 / 3.6 (7–30)

2GP8

40

5.9 / 3.8 (6–38)

37.7 h (4 ns)

3.9 / 2.3 (6–38)

1ENH

54

5.9 / 5.0 (8–52) / 3.7 (8–36)

29.4 h (2 ns)

11.2 / 10.7 (8–52) / 4.7 (8–36)

2IGD

61

5.7 / 4.1 (6–59)

48.6 h (4 ns)

12.9 / 11.5 (6–59)

1YPA

64

9.2 / 7.1 (12–52)

116.9 h (8 ns)

11.8 / 9.4 (12–52)