Table 3.
NMR distance and dihedral constraints | |
Distance restraints | |
Total NOE | 476 |
Intraresidue | 309 |
Interresidue | 167 |
Sequential (|i − j| = 1) | 107 |
Non-sequential (|i − j| > 1) | 60 |
Hydrogen bonds | 26 |
Total dihedral angle restraints | 38 |
Structure statistics | |
Violations (mean and s.d.) | |
Distance constraints (Å) | 0.03 ± 0.003 |
Dihedral angle constraints (°) | 0.81 ± 0.63 |
Max. dihedral angle violation(°) | 10.6 |
Max. distance constraint violation (Å) | 0.37 |
Deviations from idealized geometry | |
Bond length (Å) | 0.007 ± 0.0001 |
Bond angle (°) | 1.40 ± 0.01 |
Impropers (°) | 1.05 ± 0.01 |
Average pairwise r.m.s.d. of heavy atoms (Å) | |
G-tetrads | 1.01 ± 0.12 |
With C20 | 1.14 ± 0.14 |
With C4,G5,C6 | 1.04 ± 0.12 |
With A10,T15 | 1.13 ± 0.14 |
All residues | 2.55 ± 0.65 |
aThe ensemble of 10 structures is selected based both on the minimal energy terms and number of NOE violations.