Analyses performed for user defined residues.
| Summary of conformationally-restricting experimental constraints a | |||
| NOE-based distance constraints: | |||
| Total | 2261 | ||
| intra-residue [i = j] | 615 | ||
| sequential [| i - j | = 1] | 620 | ||
| medium range [1 < | i - j | < 5] | 297 | ||
| long range [| i - j | ≥ 5] | 729 | ||
| NOE constraints per restrained residue b | 17.0 | ||
| Dihedral-angle constraints: | 203 | ||
| Total number of restricting constraints b | 2464 | ||
| Total number of restricting constraints per restrained residue b | 18.5 | ||
| Restricting long-range constraints per restrained residue b | 5.5 | ||
| Total structures computed | currently unknown | ||
| Number of structures used | 20 | ||
| Residual constraint violations a,c | |||
| Distance violations / structure | |||
| 0.1 - 0.2 Å | 18.3 | ||
| 0.2 - 0.5 Å | 39.05 | ||
| > 0.5 Å | 97.9 | ||
| RMS of distance violation / constraint | 0.49 Å | ||
| Maximum distance violation d | 10.34 Å | ||
| Dihedral angle violations / structure | |||
| 1 - 10 ° | 7.3 | ||
| > 10 ° | 3.6 | ||
| RMS of dihedral angle violation / constraint | 6.88 ° | ||
| Maximum dihedral angle violation d | 157.90 ° | ||
| RPF scores | |||
| Recall | Precision | F-measure | DP-score |
| 0.96 | 0.888 | 0.923 | 0.738 |
| RMSD Values | |||
| all | orderede | Selectedf | |
| All backbone atoms | 5.5 Å | 4.7 Å | 4.0 Å |
| All heavy atoms | 5.8 Å | 4.7 Å | 4.0 Å |
| Structure Quality Factors - overall statistics | |||
| Mean score | SD | Z-score g | |
| Procheck G-factor e (phi / psi only) | -0.30 | N/A | -0.87 |
| Procheck G-factor e (all dihedral angles) | 0.03 | N/A | 0.18 |
| Verify3D | 0.37 | 0.0208 | -1.44 |
| ProsaII (-ve) | 0.47 | 0.0462 | -0.74 |
| MolProbity clashscore | 3.95 | 1.2841 | 0.85 |
| General linear model RMSD prediction | 1.99 | ||
| Ramachandran Plot Summary from Procheck f | |||
| Most favoured regions | 88.0% | ||
| Additionally allowed regions | 11.9% | ||
| Generously allowed regions | 0.0% | ||
| Disallowed regions | 0.0% | ||
| Ramachandran Plot Statistics from Richardson's lab | |||
| Most favoured regions | 96.9% | ||
| Allowed regions | 3.1% | ||
| Disallowed regions | 0% |