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 | 18 | ||
| Residual constraint violations a,c | |||
| Distance violations / structure | |||
| 0.1 - 0.2 Å | 8.61 | ||
| 0.2 - 0.5 Å | 3.39 | ||
| > 0.5 Å | 1.72 | ||
| RMS of distance violation / constraint | 0.05 Å | ||
| Maximum distance violation d | 2.03 Å | ||
| Dihedral angle violations / structure | |||
| 1 - 10 ° | 6.56 | ||
| > 10 ° | 3.94 | ||
| RMS of dihedral angle violation / constraint | 1.73 ° | ||
| Maximum dihedral angle violation d | 58.30 ° | ||
| RPF scores | |||
| Recall | Precision | F-measure | DP-score |
| 0.9 | 0.93 | 0.915 | 0.61 |
| RMSD Values | |||
| all | orderede | Selectedf | |
| All backbone atoms | 5.0 Å | 2.9 Å | 2.9 Å |
| All heavy atoms | 5.7 Å | 3.2 Å | 3.2 Å |
| Structure Quality Factors - overall statistics | |||
| Mean score | SD | Z-score g | |
| Procheck G-factor e (phi / psi only) | -0.05 | N/A | 0.12 |
| Procheck G-factor e (all dihedral angles) | 0.07 | N/A | 0.41 |
| Verify3D | 0.26 | 0.0289 | -3.21 |
| ProsaII (-ve) | 0.10 | 0.0495 | -2.27 |
| MolProbity clashscore | 7.01 | 1.3550 | 0.32 |
| General linear model RMSD prediction | 2.42 | ||
| Ramachandran Plot Summary from Procheck f | |||
| Most favoured regions | 93.7% | ||
| Additionally allowed regions | 4.3% | ||
| Generously allowed regions | 2.0% | ||
| Disallowed regions | 0.0% | ||
| Ramachandran Plot Statistics from Richardson's lab | |||
| Most favoured regions | 96.4% | ||
| Allowed regions | 2.1% | ||
| Disallowed regions | 1.5% |