Analyses performed for user defined residues.
| Summary of conformationally-restricting experimental constraints a | |||
| NOE-based distance constraints: | |||
| Total | 1356 | ||
| intra-residue [i = j] | 0 | ||
| sequential [| i - j | = 1] | 198 | ||
| medium range [1 < | i - j | < 5] | 778 | ||
| long range [| i - j | ≥ 5] | 380 | ||
| NOE constraints per restrained residue b | 19.4 | ||
| Hydrogen bond constraints: | |||
| Total | 122 | ||
| long range [| i - j | ≥ 5] | 0 | ||
| Dihedral-angle constraints: | 251 | ||
| Total number of restricting constraints b | 1729 | ||
| Total number of restricting constraints per restrained residue b | 24.7 | ||
| Restricting long-range constraints per restrained residue b | 5.4 | ||
| Total structures computed | currently unknown | ||
| Number of structures used | 20 | ||
| Residual constraint violations a,c | |||
| Distance violations / structure | |||
| 0.1 - 0.2 Å | 14.35 | ||
| 0.2 - 0.5 Å | 29.95 | ||
| > 0.5 Å | 66 | ||
| RMS of distance violation / constraint | 0.25 Å | ||
| Maximum distance violation d | 5.32 Å | ||
| Dihedral angle violations / structure | |||
| 1 - 10 ° | 2.4 | ||
| > 10 ° | 1.7 | ||
| RMS of dihedral angle violation / constraint | 2.05 ° | ||
| Maximum dihedral angle violation d | 46.40 ° | ||
| RPF scores | |||
| Recall | Precision | F-measure | DP-score |
| 0.848394 | 0.915349 | 0.881 | 0.783132 |
| RMSD Values | |||
| all | orderede | Selectedf | |
| All backbone atoms | 3.4 Å | 0.8 Å | 0.8 Å |
| All heavy atoms | 3.9 Å | 1.3 Å | 1.3 Å |
| Structure Quality Factors - overall statistics | |||
| Mean score | SD | Z-score g | |
| Procheck G-factor e (phi / psi only) | 0.49 | N/A | 2.24 |
| Procheck G-factor e (all dihedral angles) | 0.56 | N/A | 3.31 |
| Verify3D | 0.38 | 0.0303 | -1.28 |
| ProsaII (-ve) | 1.01 | 0.0511 | 1.49 |
| MolProbity clashscore | 3.23 | 1.4284 | 0.97 |
| General linear model RMSD prediction | 1.35 | ||
| Ramachandran Plot Summary from Procheck f | |||
| Most favoured regions | 97.3% | ||
| Additionally allowed regions | 2.6% | ||
| Generously allowed regions | 0.0% | ||
| Disallowed regions | 0.1% | ||
| Ramachandran Plot Statistics from Richardson's lab | |||
| Most favoured regions | 99.5% | ||
| Allowed regions | 0.5% | ||
| Disallowed regions | 0% |