Skip to main content

Table 1 Distribution and strain energies of 42,690 disulfides in X-ray structures.

From: Search for allosteric disulfide bonds in NMR structures

Designation

Number

Incidence, %

DSE, kJ.mol-1

Cα-Cα', Å

-LHSpiral

12684

29.71

10.5 (10.4–10.6)

5.77 (5.76–5.78)

-RHHook

4344

10.18

13.3 (13.1–13.6)

5.26 (5.22–5.30)

-RHStaple

3641

8.53

17.7 (17.5–17.9)

4.18 (4.17–4.19)

+/-LHSpiral

3563

8.35

13.2 (12.9–13.4)

6.11 (6.09–6.12)

-/+RHHook

2445

5.73

11.3 (11.0–11.5)

5.09 (5.07–5.10)

+/-RHSpiral

2392

5.60

13.6 (13.3–13.9)

6.16 (6.06–6.26)

-RHSpiral

2311

5.41

11.9 (11.6–12.3)

5.75 (5.71–5.78)

-LHHook

2262

5.30

14.6 (14.2–15.0)

5.65 (5.62–5.68)

+/-RHHook

2051

4.80

14.1 (13.7–14.5)

5.39 (5.28–5.49)

-/+LHHook

1949

4.57

12.9 (12.5–13.3)

5.96 (5.92–5.99)

+RHSpiral

1599

3.75

15.7 (15.4–15.9)

6.43 (6.41–6.44)

+/-LHHook

763

1.79

17.1 (16.3–17.9)

5.47 (5.42–5.52)

+/-LHStaple

618

1.45

15.3 (14.3–16.2)

5.18 (5.09–5.27)

-LHStaple

599

1.40

14.9 (13.8–16.0)

5.80 (5.70–5.89)

+LHHook

451

1.06

17.2 (16.2–18.2)

5.87 (5.81–5.94)

+/-RHStaple

301

0.71

19.0 (17.9–20.2)

5.11 (5.03–5.19)

+LHSpiral

293

0.69

18.2 (16.9–19.5)

6.35 (6.30–6.40)

+RHHook

269

0.63

20.8 (19.4–22.2)

5.91 (5.83–5.99)

+LHStaple

109

0.26

12.2 (9.7–14.6)

5.66 (5.54–5.77)

+RHStaple

46

0.11

33.0 (29.3–36.7)

5.94 (5.63–6.26)

all disulfides

42690

 

13.1 (13.1–13.2)

5.59 (5.58–5.60)

  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.