| number of NOE-derived distance
restraints |
507 |
| intranucleotide |
181 |
| internucleotide |
291 |
| intermolecular |
32 |
| ambiguous |
3 |
| hydrogen-bond restraints |
89 |
| base-pair planarity restraints |
32 |
| dihedral angle restraints |
173 |
| residual dipolar coupling
(1DNH) restraints |
16 |
| P–P distance restraints |
19 |
| total number of restraints |
836 |
| RMSD from experimental restraints |
|
| NOE (Å;
none > 0.2 Å) |
0.069 ± 0.008 |
| dihedral
(°; none > 5°) |
0.008 ± 0.001 |
| residual
dipolar coupling (Hz; none >0.1 Hz) |
0.0018 ± 0.0005 |
| RMSD from idealized
geometry |
|
| bonds
(Å) |
0.00441 ± 0.00005 |
| angles
(°) |
0.995 ± 0.001 |
| impropers
(°) |
0.385 ± 0.001 |
| heavy-atom RMSD to
the minimized
average structure |
|
| overall
(SLIds2: 2–20, SLV: 2–20) |
2.02 ± 0.77 |
| overall
SLI (SLIds2: 2–20) |
1.82 ± 0.77 |
| overall
SLV (SLV: 2–20) |
1.15 ± 0.27 |
| stem
I (SLIds2: 2–6, 16–20) |
0.59 ± 0.10 |
| stem
V (SLV: 2–7, 15–20) |
0.49 ± 0.07 |
| loop
I (SLIds2: 6–16) |
1.78 ± 0.69 |
| loop
V (SLV: 7–15) |
1.01 ± 0.20 |
| kissing-loop
stem (SLIds2: 11–13, SLV: 10–12) |
0.73 ± 0.19 |
| kissing-loop
junction (SLIds2: 6–16, SLV: 7–15) |
1.70 ± 0.51 |
