Analyses performed for user defined residues.
| Summary of conformationally-restricting experimental constraints a | |||
| NOE-based distance constraints: | |||
| Total | 1499 | ||
| intra-residue [i = j] | 201 | ||
| sequential [| i - j | = 1] | 471 | ||
| medium range [1 < | i - j | < 5] | 175 | ||
| long range [| i - j | ≥ 5] | 652 | ||
| NOE constraints per restrained residue b | 13.0 | ||
| Dihedral-angle constraints: | 0 | ||
| Total number of restricting constraints b | 1499 | ||
| Total number of restricting constraints per restrained residue b | 13.0 | ||
| Restricting long-range constraints per restrained residue b | 5.7 | ||
| Total structures computed | currently unknown | ||
| Number of structures used | 20 | ||
| Residual constraint violations a,c | |||
| Distance violations / structure | |||
| 0.1 - 0.2 Å | 0 | ||
| 0.2 - 0.5 Å | 0.05 | ||
| > 0.5 Å | 0 | ||
| RMS of distance violation / constraint | 0.00 Å | ||
| Maximum distance violation d | 0.47 Å | ||
| RPF scores | |||
| Recall | Precision | F-measure | DP-score |
| 0.963 | 0.928 | 0.945 | 0.806 |
| RMSD Values | |||
| all | orderede | Selectedf | |
| All backbone atoms | 2.8 Å | 0.7 Å | 0.7 Å |
| All heavy atoms | 3.1 Å | 1.1 Å | 1.1 Å |
| Structure Quality Factors - overall statistics | |||
| Mean score | SD | Z-score g | |
| Procheck G-factor e (phi / psi only) | -0.76 | N/A | -2.68 |
| Procheck G-factor e (all dihedral angles) | -0.43 | N/A | -2.54 |
| Verify3D | 0.37 | 0.0271 | -1.44 |
| ProsaII (-ve) | 0.43 | 0.0579 | -0.91 |
| MolProbity clashscore | 20.09 | 3.5437 | -1.92 |
| General linear model RMSD prediction | 2.12 | ||
| Ramachandran Plot Summary from Procheck f | |||
| Most favoured regions | 83.1% | ||
| Additionally allowed regions | 16.9% | ||
| Generously allowed regions | 0.0% | ||
| Disallowed regions | 0.0% | ||
| Ramachandran Plot Statistics from Richardson's lab | |||
| Most favoured regions | 93.8% | ||
| Allowed regions | 6% | ||
| Disallowed regions | 0.1% |