Table 1. Structural statistics of the 25 lowest energy NMR structures of ChxREff.
| Distance Restraints | |
| Total NOE | 1637 |
| Intraresidue (|i−j| = 0) | 130 |
| Sequential (|i−j| = 1) | 531 |
| Medium-range (1<|i−j|≤5) | 406 |
| Long-range (|i−j|≥5) | 570 |
| Dihedral restraints | |
| φ (TALOS+)a | 94 |
| ψ (TALOS+) | 94 |
| R.m.s. deviations from experimental restraints a | |
| NOE-based distance restraints (Å) | 0.016±0.0008 |
| Dihedral angle restraints (°) | 0.209±0.0270 |
| R.m.s. deviations from idealized geometry | |
| Bonds (Å) | 0.0020±0.0000 |
| Angles (°) | 0.3495±0.0099 |
| Impropers (°) | 0.2166±0.0131 |
| R.m.s. deviations from the mean structure (Å) b | |
| Backbone atoms (N, Cα, C’) | 0.76±0.14 |
| All Heavy Atoms | 1.62±0.13 |
| Ramachandran plot c | |
| Residues in most favored regions, % | 68.3 |
| Residues in additional allowed regions, % | 29.1 |
| Residues in generously allowed regions, % | 2.5 |
| Residues in disallowed regions, % | 0.1 |
| PDB ID | 2M1B |
a
These values are for 25 lowest energy structures out of 50 structures.
b
Only secondary structural elements are superimposed.
c
For the 25 lowest energy structures, using PROCHECK-NMR.