NMR distance and dihedral constraints | | |
Distance constraints | | |
Total NOE | 161 | 117 |
Intraresidue | 92 | 54 |
Interresidue | | |
Sequential (|i – j| = 1) | 56 | 53 |
Medium-range (|i – j| < 4) | 13 | 10 |
Structure statistics | | |
Violations (mean and S.D.) | | |
Distance constraints (Å) | 0.13 ± 0.19 | 0.09 ± 0.15 |
Maximum distance constraint violation (Å) | 1.40 | 1.29 |
Deviations from idealized geometry | | |
Bond lengths (Å) | 1.29e-3 ± 0.18e-3 | 1.15e-3 ± 0.12e-3 |
Bond angles (°) | 0.42 ± 0.01 | 0.45 ± 0.01 |
Impropers (°) | 0.27 ± 0.003 | 0.27 ± 0.002 |
Average pairwise r.m.s. deviation (Å) | | |
Heavy (residues 5–10, 20 structures) | 0.84 ± 0.16 | 0.82 ± 0.34 |
Backbone (residues 5–10, 20 structures) | 1.61 ± 0.16 | 1.69 ± 0.60 |