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Table 2 Distribution and strain energies of 55,005 disulfides in NMR structures.

From: Search for allosteric disulfide bonds in NMR structures

Designation

Number

Incidence, %

DSE, kJ.mol-1

Cα-Cα', Å

-LHSpiral

11137

20.25

19.2 (19.0–19.5)

5.73 (5.72–5.74)

-RHHook

7087

12.88

31.2 (30.8–31.6)

5.80 (5.79–5.82)

-LHHook

5313

9.66

34.5 (34.0–34.9)

5.50 (5.47–5.52)

+/-RHSpiral

4106

7.46

21.9 (21.5–22.3)

5.85 (5.83–5.87)

-RHSpiral

3689

6.71

27.2 (26.7–27.7)

6.16 (6.14–6.18)

-RHStaple

3150

5.73

26.0 (25.5–26.4)

4.49 (4.46–4.52)

+/-LHSpiral

3025

5.50

24.2 (23.7–24.6)

6.06 (6.04–6.08)

-/+RHHook

2527

4.59

23.3 (22.7–23.9)

5.42 (5.38–5.54)

+/-RHHook

2318

4.21

27.3 (26.7–27.9)

5.65 (5.62–5.68)

+RHSpiral

2064

3.75

20.2 (19.6–20.7)

5.79 (5.77–5.81)

+/-LHHook

2057

3.74

29.6 (29.0–30.3)

5.81 (5.78–5.84)

-/+LHHook

2001

3.64

31.0 (30.4–31.6)

5.79 (5.75–5.82)

+/-LHStaple

1899

3.45

29.6 (29.0–30.1)

5.06 (5.02–5.10)

-LHStaple

1805

3.28

36.1 (35.4–36.7)

4.88 (4.84–4.93)

+/-RHStaple

889

1.62

29.2 (28.3–30.0)

5.28 (5.23–5.33)

+LHHook

606

1.10

29.3 (28.2–30.3)

5.89 (5.84–5.94)

+RHHook

530

0.96

31.3 (29.8–32.3)

5.92 (5.86–5.97)

+LHSpiral

342

0.62

29.2 (27.6–30.8)

6.20 (6.15–6.25)

+LHStaple

256

0.47

27.9 (25.9–29.8)

5.38 (5.26–5.49)

+RHStaple

204

0.37

34.0 (32.4–35.6)

5.19 (5.08–5.31)

all disulfides

55005

 

26.5 (26.3–26.6)

5.64 (5.63–5.64)

  1. The disulfide bonds were separated into twenty configurations based on the sign of χ1, χ2, χ3, χ2' and χ1' angles [8]. The dihedral strain energy (DSE) and distance between the two α carbon atoms were calculated for each disulfide and the mean and 95% confidence intervals is shown for each group.