Table 1.
NMR distance and torsion angle restraints | |
---|---|
NOE-derived distance restraints | |
Total | 248 |
Intra-residue | 143 |
Inter-residue | 105 |
Sequential | 54 |
Long-range | 51 |
NOEs not observed | 2 |
Hydrogen bond restraints | 24 |
Torsion angle restraints | 59 |
G-quartet planarity restraints | 36 |
Structure statistics | |
Violations | |
Mean NOE restraint violation (Å) | 0.078 ± 0.0005 |
Max. NOE restraint violation (Å) | 0.176 |
Max torsion angle restraint violation (°) | 4.270 |
Deviation from idealized geometry | |
Bonds (Å) | 0.012 ± 0.000 |
Angles (°) | 2.731 ± 0.001 |
Pairwise heavy atom RMSD (Å) | |
Overall | 2.310 |
G-quartets | 0.622 |
G-quartets and G2, T3, T9, G10, A12, C13, T22 | 0.894 |