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. 2017 Jan 14;45(7):4217–4230. doi: 10.1093/nar/gkw1355

Table 4. Comparison of global twist and roll values (in degrees) and average canonical WC hydrogen bond count (HB%) with (all) or without (no ends) terminal base pairs.

DDD SEQ2 SEQ3
Twist Roll HB % Twist Roll HB % Twist Roll HB %
BSC1 All 35.23 2.66 96.2 34.06 3.28 99.1 33.89 2.53 99.2
No ends 34.39 1.47 99.7 34.65 2.13 99.2 34.09 2.05 99.4
BSC0 All 32.99 16.65 83.4 29.85 10.44 89.2 30.09 1.87 89.4
No ends 32.81 2.41 99.6 32.34 3.22 98.7 31.54 3.78 98.1
BSC0OL1 All 34.16 15.85 84.8 32.75 3.88 95.5 31.52 3.71 90.6
No ends 33.59 2.26 99.6 33.67 2.89 99.3 33.29 2.81 97.8
BSC0OL1+OL4 All 33.45 7.00 93.7 31.8 5.80 93.5 31.67 12.25 90.1
No ends 33.12 2.71 99.5 32.94 3.80 99.1 32.64 4.04 98.4
BSC0OL15 All 35.01 2.97 98.7 34.62 2.30 99.1 34.27 2.90 97.7
No ends 34.49 2.11 99.6 34.84 2.46 99.4 34.47 2.74 99.1
CG All 28.05 5.42 87.2 29.62 3.12 99.9 29.2 3.39 97.6
No ends 29.87 3.49 92.6 29.13 3.24 99.9 28.98 3.16 99.9
C36 All 30.06 19.00 85.2 30.56 13.14 79.2 30.57 9.26 78.4
No ends 33.61 5.36 95.4 35.06 4.33 91.2 33.71 5.92 92.3
C36pol All 30.72 1.47 49.4 29.11 0.63 52.8 18.46 3.43 68.4
No ends 31.01 3.37 57.2 26.27 1.27 53.1 15.09 3.87 81.6
Standard a All 34.46 4.71 34.38 3.36 34.51 5.65
No ends 34.85 2.29 34.1 2.59 34.36 3.66
BSC1-NOE b All 34.10 4.22 34.89 4.24 34.79 5.38
No ends 34.85 2.37 35.14 4.12 34.63 4.68
BSC0OL15-NOE c All 34.27 4.57 33.25 4.29 34.33 4.16
No ends 34.69 2.29 33.72 3.91 33.97 3.58
1NAJ All 35.71 3.27
No ends 36.07 2.12
X-rayd All 35.69 -0.31
No ends 35.24 -0.73
1JGR All 35.30 0.95
No ends 35.36 -0.63
4C65 All 35.37 0.56
No ends 35.44 -0.68

aNMR values are averages derived from 10 NMR structures per sequence obtained in the group using standard refinement protocol.

bNMR values correspond to the NMR ensemble refined with BSC1.

cNMR values correspond to the NMR ensemble refined with BSC0OL15.

d The values were obtained combining the X-Ray structures with PDB codes: 1BNA, 2BNA, 7BNA and 9BNA.