Table 3.
Contact properties
| Count | Contacts | Distance | Solvent B-factor | Target B-factor | |
|---|---|---|---|---|---|
| All | 238 | 1852 | 3.07 (0.33) | 17.15 (8.91) | 12.83 (7.58) |
| Phosphate | 143 | 200 | 2.94 (0.29) | 17.51 (8.40) | 10.84 (2.70) |
| Ribose O2′ | 96 | 126 | 2.98 (0.30) | 14.95 (7.80) | 11.23 (7.43) |
| Secondary shell | 6 | 16 | 2.79 (0.33) | 33.86 (16.42) | 20.96 (10.09) |
| Inter-octamer | 79 | 648 | 3.08 (0.33) | 18.73 (10.27) | 14.14 (8.58) |
| Phosphate | 54 | 92 | 2.98 (0.31) | 17.25 (9.28) | 10.67 (2.78) |
| Ribose O2′ | 15 | 16 | 2.98 (0.37) | 18.49 (10.14) | 15.23 (14.77) |
| Intra-octamer | 153 | 1188 | 3.07 (0.33) | 16.06 (7.52) | 12.00 (6.77) |
| Phosphate | 89 | 108 | 2.90 (0.26) | 17.73 (7.62) | 10.99 (2.64) |
| Ribose O2′ | 81 | 110 | 2.98 (0.29) | 14.44 (7.31) | 10.65 (5.53) |
Properties of overall water contacts in comparison to three disjoint subsets: waters in contact with phosphate group oxygens, with the ribose O2′ hydroxyl group and with waters in a secondary hydration shell. For each group, the number of contacts found among all three structures with the mean and standard deviation of the contact distance, target B-factor and solvent B-factor are listed.