Analyses performed for user defined residues.
| Summary of conformationally-restricting experimental constraints a | |||
| NOE-based distance constraints: | |||
| Total | 1362 | ||
| intra-residue [i = j] | 260 | ||
| sequential [| i - j | = 1] | 478 | ||
| medium range [1 < | i - j | < 5] | 144 | ||
| long range [| i - j | ≥ 5] | 480 | ||
| NOE constraints per restrained residue b | 9.1 | ||
| Dihedral-angle constraints: | 656 | ||
| Total number of restricting constraints b | 2018 | ||
| Total number of restricting constraints per restrained residue b | 13.5 | ||
| Restricting long-range constraints per restrained residue b | 3.2 | ||
| Total structures computed | currently unknown | ||
| Number of structures used | 20 | ||
| Residual constraint violations a,c | |||
| Distance violations / structure | |||
| 0.1 - 0.2 Å | 10.35 | ||
| 0.2 - 0.5 Å | 17.45 | ||
| > 0.5 Å | 41.4 | ||
| RMS of distance violation / constraint | 0.49 Å | ||
| Maximum distance violation d | 9.11 Å | ||
| Dihedral angle violations / structure | |||
| 1 - 10 ° | 17.95 | ||
| > 10 ° | 20.9 | ||
| RMS of dihedral angle violation / constraint | 7.32 ° | ||
| Maximum dihedral angle violation d | 111.50 ° | ||
| RPF scores | |||
| Recall | Precision | F-measure | DP-score |
| 0.893 | 0.943 | 0.917 | 0.62 |
| RMSD Values | |||
| all | orderede | Selectedf | |
| All backbone atoms | 5.6 Å | 3.3 Å | 3.4 Å |
| All heavy atoms | 6.2 Å | 3.7 Å | 3.7 Å |
| Structure Quality Factors - overall statistics | |||
| Mean score | SD | Z-score g | |
| Procheck G-factor e (phi / psi only) | -0.33 | N/A | -0.98 |
| Procheck G-factor e (all dihedral angles) | -0.05 | N/A | -0.30 |
| Verify3D | 0.28 | 0.0368 | -2.89 |
| ProsaII (-ve) | 0.14 | 0.0880 | -2.11 |
| MolProbity clashscore | 5.78 | 1.5761 | 0.53 |
| General linear model RMSD prediction | 2.65 | ||
| Ramachandran Plot Summary from Procheck f | |||
| Most favoured regions | 90.3% | ||
| Additionally allowed regions | 7.7% | ||
| Generously allowed regions | 2.0% | ||
| Disallowed regions | 0.0% | ||
| Ramachandran Plot Statistics from Richardson's lab | |||
| Most favoured regions | 96.3% | ||
| Allowed regions | 2.4% | ||
| Disallowed regions | 1.3% |