Distance restraints |
|
Intranucleotide NOEs |
370 |
Internucleotide NOEs (n, n + 1) |
266 |
Long-range NOEs (n, n + m, m > 1) |
57 |
Torsion angle restraints |
130 |
Hydrogen bond restraints |
32 |
Residual dipolar couplings |
51 |
Base pair planarity restraints |
22 |
Total number of restraints |
928 (∼28/nt) |
NOE violations > 0.3 Å |
2.2 ± 1.2 |
Maximum NOE violations (Å) |
0.38 ± 0.08 |
Deviations from idealized covalent geometry |
|
Bonds (Å) |
0.009 ± 0.000 |
Angles (°) |
1.62 ± 0.12 |
Pairwise all heavy atom RMSD from average structure (Å) |
Overall |
0.76 ± 0.20 |
Without the asymmetric internal loop |
0.76 ± 0.24 |
Without the GAAA tetraloop |
0.63 ± 0.29 |
Without the first GC base pair |
0.74 ± 0.22 |
Without the GAAA tetraloop and the first GC base pair |
0.62 ± 0.31 |
Without the asymmetric internal loop and the GAAA tetraloop |
0.64 ± 0.33 |
Without the asymmetric internal loop, the GAAA tetraloop and the first GC base pair |
0.62 ± 0.36 |