Table 1.
NMR Restraints and Structural Statistics
| NMR constraints | ||
|---|---|---|
| NCBD | p53 TAD | |
| Total NOE distance restraints | 836 | 602 |
| Intra-residue (i,i) | 245 | 178 |
| Sequential (i,i+1) | 260 | 258 |
| Medium-range (2≤|i−j|≤4) | 247 | 154 |
| Long-range (|i−j|≥5) | 84 | 12 |
| Intermolecular | 65 | |
| Dihedral angle restraints | ||
| φ | 47 | 26 |
| φ | 33 | 12 |
| χ1 | 7 | 7 |
| Structural statistics (20 structures) | ||
| AMBER restraint violations | ||
| Maximum NOE violation (Å) | 0.25 | |
| Maximum torsion angle violation (°) | 0 | |
| Deviations from ideal geometry | ||
| Bond lengths (Å) | 0.0102 ± 0.0001 | |
| Bond angles (°) | 2.10 ± 0.02 | |
| AMBER energies | ||
| Mean restraint energy (kcal/mol) | 9.2 | |
| Mean AMBER energy (kcal/mol) | −3745.9 | |
| RMS deviations from mean1 | ||
| Backbone heavy atoms (Å) | 0.61 | |
| Heavy atoms (Å) | 0.93 | |
| PROCHECK statistics | ||
| Most favored region (%) | 84.8 | |
| Additionally allowed region (%) | 14.8 | |
| Generously allowed region (%) | 0.4 | |
| Disallowed region (%) | 0.0 | |
1
Analysis included residues: P2065-R2105, NCBD; F19-W23 and P47-F54, p53 TAD.