TABLE 2.
Summary of quality statistics for an ensemble of 20 structures calculated with Cyana and list of experimental restraints
| Selected residues (SR) | 16–32 |
|---|---|
| Backbone root mean square deviations (Å)a for SR | 0.61 ± 0.24 |
| Heavy atoms root mean square deviations (Å)a for SR | 0.77 ± 0.26 |
| Backbone completenessa | 96% |
| Side chain completenessa | 74% |
| Ramachandran plot (%)b for SR | |
| Most favored regions | 34.5 |
| Additionally allowed regions | 65.5 |
| Generously allowed regions | 0 |
| Disallowed regions | 0 |
| Procheck φ - ψ (Z-score) for SR | −7.51 |
| Procheck all (Z-score) for SR | −11.53 |
| MolProbity Clashscore (Z-score) for SR | −3.06 |
| Distance violations >0.5 Å | 0 |
| Angle violations >10° | 3 |
| All NOE restraints | 533 |
| Long (li-jl >5) | 0 |
| Short and medium (li-jl = 1 − 5) | 285 |
| Intra-residue | 248 |
| PRE distance restraints | 66 |
| Backbone angular restraints (φ and ψ) | 36 |