Table 2. Restraints and Statistics for the Ensemble of 20 Structures.
| NOE restraints | |
| Total | 1127 |
| Intraresidue (|i – j| = 0) | 526 |
| Sequential (|i – j| = 1) | 183 |
| Medium range (1< |i – j| <5) | 125 |
| Long range (|i – j| ≥5) | 293 |
| Additional restraints | |
| Hydrogen bond distance restraints (HN-N/HN-O) | 58 |
| Backbone angle torsional angle restraints | 96 |
| RMS deviations from ideality a | |
| Bonds (Å) | 0.006±0.000 |
| Angles (°) | 0.557±0.021 |
| Improper angles (°) | 0.811±0.063 |
| RMS violations | |
| NOE restraints | 0.042±0.003 |
| Dihedral angles (°) | 0.051±0.067 |
| Ramachandran analysis for ordered residues b | |
| Most favored regions | 90.7% |
| Additional allowed regions | 9.3% |
| Generously allowed regions | 0.0% |
| Disallowed regions | 0.0% |
| RMSD to average coordinates for ordered residues | |
| Backbone atoms (Å) | 0.7 |
| Heavy atoms (Å) | 1.2 |
a
As reported by XPLOR-NIH 2.33 using the standard protein force field.
b
As reported by PROCHECK and selected by PSVS 1.4 for residues 17–51, 62–69, 72–114, 116–145.