Table 3. U-turn Characteristics of NMR Ensembles.
| U-turn characteristic: | original MgFree ensemble | original MgBound ensemble | rerefined MgFree ensemble | Conf. 1 | Conf. 2 |
|---|---|---|---|---|---|
| G697 alpha (deg) | 116 ± 7 | 167 ± 34 | 151 ± 10 | 139 ± 4 | 153 ± 8 |
| G697/A698 stacking (Å) | 3.6 ± 0.2 | 4.2 ± 0.4 | 3.7 ± 0.1 | 3.7 ± 0.0 | 3.7 ± 0.1 |
| A698/C699 stacking (Å) | 3.7 ± 0.3 | 3.8 ± 0.2 | 3.6 ± 0.1 | 3.7 ± 0.0 | 3.6 ± 0.0 |
| U696 N3–A698 5′phosphate stacking (Å) | not stacked: 4.2 ± 0.3 | stacked: 4.2 ± 0.6 | 4.2 ± 0.7 | 4.0 ± 0.1 | 5.2 ± 0.2 |
| U696 2′OH–A698 N7 h-bond (Å) | 3.4 ± 0.3 | 2.5 ± 0.2 | 3.6 ± 0.6 | 3.8 ± 0.1 | 3.1 ± 0.2 |
| U696 H3 – A698 3′phosphate h-bond (Å) | 8.8 ± 0.3 | 5.1 ± 0.7 | 8.0 ± 0.5 | 8.0 ± 0.3 | 8.9 ± 0.6 |