Table 1.
NMR structural statistics for RD3
| NMR restraints | Value (restraint violation) |
|---|---|
| Short-range NOEs | 727 (0.0 ± 0.0) |
| Long-range NOEs | 216 (0.0 ± 0.0) |
| Hydrogen bonds | 144 (not used in water refinement) |
| Dihedral angles | 172 (0.1 ± 0.3) |
| 1DHN RDC | 72 (0.0 ± 0.0) |
| RDC Q-factor | 0.289 |
| Coordinate precision (Å)a | |
| RMSD backbone atoms | 0.548 |
| RMSD all heavy atoms | 1.177 |
| Deviation from idealized geometry | |
| Bonds (Å) | 0.006 ± 0.000 |
| Angles (°) | 0.633 ± 0.012 |
| Impropers (°) | 0.827 ± 0.029 |
| Ramachandran plot (%) | |
| Favored region | 85.1 |
| Allowed region | 11.7 |
| Outlier region | 3.2 |
| Structure qualityb | |
| Clash score | 6 |
| Ramachandran outliers | 0.5% |
| Side-chain outliers | 4.8% |
a Coordinate precision was calculated for residues 4–34 and 58–122.
b Structure quality metrics assessed by MolProbity (49).