Analyses performed for user defined residues.
| Summary of conformationally-restricting experimental constraints a | |||
| NOE-based distance constraints: | |||
| Total | 547 | ||
| intra-residue [i = j] | 119 | ||
| sequential [| i - j | = 1] | 148 | ||
| medium range [1 < | i - j | < 5] | 57 | ||
| long range [| i - j | ≥ 5] | 223 | ||
| NOE constraints per restrained residue b | 9.0 | ||
| Dihedral-angle constraints: | 0 | ||
| Total number of restricting constraints b | 547 | ||
| Total number of restricting constraints per restrained residue b | 9.0 | ||
| Restricting long-range constraints per restrained residue b | 3.7 | ||
| Total structures computed | currently unknown | ||
| Number of structures used | 20 | ||
| Residual constraint violations a,c | |||
| Distance violations / structure | |||
| 0.1 - 0.2 Å | 1.95 | ||
| 0.2 - 0.5 Å | 1.85 | ||
| > 0.5 Å | 0.7 | ||
| RMS of distance violation / constraint | 0.06 Å | ||
| Maximum distance violation d | 2.02 Å | ||
| RPF scores | |||
| Recall | Precision | F-measure | DP-score |
| 0.972 | 0.862 | 0.914 | 0.755 |
| RMSD Values | |||
| all | orderede | Selectedf | |
| All backbone atoms | 2.7 Å | 0.5 Å | 0.5 Å |
| All heavy atoms | 3.3 Å | 0.9 Å | 0.9 Å |
| Structure Quality Factors - overall statistics | |||
| Mean score | SD | Z-score g | |
| Procheck G-factor e (phi / psi only) | -0.61 | N/A | -2.08 |
| Procheck G-factor e (all dihedral angles) | -0.38 | N/A | -2.25 |
| Verify3D | 0.20 | 0.0399 | -4.17 |
| ProsaII (-ve) | 0.15 | 0.0729 | -2.07 |
| MolProbity clashscore | 18.82 | 4.2237 | -1.70 |
| General linear model RMSD prediction | 1.56 | ||
| Ramachandran Plot Summary from Procheck f | |||
| Most favoured regions | 89.2% | ||
| Additionally allowed regions | 10.8% | ||
| Generously allowed regions | 0.0% | ||
| Disallowed regions | 0.0% | ||
| Ramachandran Plot Statistics from Richardson's lab | |||
| Most favoured regions | 96.3% | ||
| Allowed regions | 3.7% | ||
| Disallowed regions | 0% |