Table 3 Distribution and strain energies of 16,225 disulfides of a culled set of X-ray structures described by G. Wang and R. Dunbrack, Jr. (file pdbaanr) [25].
From: Search for allosteric disulfide bonds in NMR structures
Designation | Number | Incidence, % | DSE, kJ.mol-1 | Cα-Cα', Å |
|---|---|---|---|---|
-LHSpiral | 4697 | 28.95 | 11.1 (10.9–11.4) | 5.74 (5.73–5.75) |
-RHHook | 1718 | 10.59 | 16.3 (15.8–16.9) | 5.36 (5.30–5.41) |
+/-LHSpiral | 1366 | 8.42 | 13.9 (13.5–14.3) | 6.14 (6.12–6.16) |
-RHStaple | 1168 | 7.20 | 18.5 (18.1–18.9) | 4.22 (4.19–4.25) |
-LHHook | 969 | 5.97 | 18.7 (17.9–19.6) | 5.58 (5.53–5.63) |
+/-RHSpiral | 961 | 5.92 | 15.0 (14.4–15.6) | 6.05 (6.02–6.08) |
-RHSpiral | 873 | 5.38 | 14.1 (13.3–14.9) | 5.82 (5.79–5.85) |
-/+RHHook | 834 | 5.14 | 12.4 (11.8–13.0) | 5.11 (5.08–5.15) |
-/+LHHook | 811 | 5.00 | 13.5 (12.8–14.2) | 6.01 (5.96–6.06) |
+RHSpiral | 794 | 4.89 | 15.6 (15.2–16.1) | 6.36 (6.34–6.39) |
+/-RHHook | 698 | 4.30 | 15.9 (15.2–16.7) | 5.41 (5.24–5.58) |
+/-LHHook | 309 | 1.90 | 19.8 (18.4–21.3) | 5.57 (5.48–5.66) |
+/-LHStaple | 261 | 1.61 | 19.9 (18.2–21.5) | 5.20 (5.07–5.32) |
-LHStaple | 202 | 1.24 | 22.1 (19.7–24.5) | 5.39 (5.25–5.54) |
+LHHook | 173 | 1.07 | 16.8 (15.1–18.5) | 5.91 (5.82–6.00) |
+/-RHStaple | 125 | 0.77 | 21.1 (19.0–23.2) | 5.21 (5.09–5.33) |
+RHHook | 116 | 0.71 | 20.4 (18.3–22.5) | 5.83 (5.72–5.94) |
+LHSpiral | 92 | 0.57 | 17.4 (15.0–19.7) | 6.33 (6.26–6.41) |
+LHStaple | 42 | 0.26 | 15.7 (11.2–20.1) | 5.64 (5.37–5.92) |
+RHStaple | 16 | 0.10 | 30.6 (25.1–36.2) | 5.31 (4.77–5.86) |
all disulfides | 16225 | 14.6 (14.5–14.8) | 5.62 (5.60–5.63) |