Analyses performed for user defined residues.
| Summary of conformationally-restricting experimental constraints a | |||
| NOE-based distance constraints: | |||
| Total | 2302 | ||
| intra-residue [i = j] | 462 | ||
| sequential [| i - j | = 1] | 508 | ||
| medium range [1 < | i - j | < 5] | 707 | ||
| long range [| i - j | ≥ 5] | 625 | ||
| NOE constraints per restrained residue b | 29.9 | ||
| Hydrogen bond constraints: | |||
| Total | 34 | ||
| long range [| i - j | ≥ 5] | 0 | ||
| Dihedral-angle constraints: | 97 | ||
| Total number of restricting constraints b | 2433 | ||
| Total number of restricting constraints per restrained residue b | 31.6 | ||
| Restricting long-range constraints per restrained residue b | 8.1 | ||
| Total structures computed | currently unknown | ||
| Number of structures used | 20 | ||
| Residual constraint violations a,c | |||
| Distance violations / structure | |||
| 0.1 - 0.2 Å | 14.8 | ||
| 0.2 - 0.5 Å | 27.1 | ||
| > 0.5 Å | 47.3 | ||
| RMS of distance violation / constraint | 0.25 Å | ||
| Maximum distance violation d | 4.87 Å | ||
| Dihedral angle violations / structure | |||
| 1 - 10 ° | 4.4 | ||
| > 10 ° | 0.85 | ||
| RMS of dihedral angle violation / constraint | 1.56 ° | ||
| Maximum dihedral angle violation d | 17.60 ° | ||
| RMSD Values | |||
| all | orderede | Selectedf | |
| All backbone atoms | 3.2 Å | 0.6 Å | 0.6 Å |
| All heavy atoms | 3.6 Å | 1.0 Å | 1.0 Å |
| Structure Quality Factors - overall statistics | |||
| Mean score | SD | Z-score g | |
| Procheck G-factor e (phi / psi only) | 0.32 | N/A | 1.57 |
| Procheck G-factor e (all dihedral angles) | 0.50 | N/A | 2.96 |
| Verify3D | 0.39 | 0.0261 | -1.12 |
| ProsaII (-ve) | 0.82 | 0.0543 | 0.70 |
| MolProbity clashscore | 1.22 | 0.9645 | 1.32 |
| Ramachandran Plot Summary from Procheck f | |||
| Most favoured regions | 93.3% | ||
| Additionally allowed regions | 6.7% | ||
| Generously allowed regions | 0.0% | ||
| Disallowed regions | 0.0% | ||
| Ramachandran Plot Statistics from Richardson's lab | |||
| Most favoured regions | 99.3% | ||
| Allowed regions | 0.7% | ||
| Disallowed regions | 0% |