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.