Analyses performed for user defined residues.
| Summary of conformationally-restricting experimental constraints a | |||
| NOE-based distance constraints: | |||
| Total | 1540 | ||
| intra-residue [i = j] | 324 | ||
| sequential [| i - j | = 1] | 413 | ||
| medium range [1 < | i - j | < 5] | 321 | ||
| long range [| i - j | ≥ 5] | 482 | ||
| NOE constraints per restrained residue b | 19.7 | ||
| Dihedral-angle constraints: | 231 | ||
| Total number of restricting constraints b | 1771 | ||
| Total number of restricting constraints per restrained residue b | 22.7 | ||
| Restricting long-range constraints per restrained residue b | 6.2 | ||
| Total structures computed | currently unknown | ||
| Number of structures used | 20 | ||
| Residual constraint violations a,c | |||
| Distance violations / structure | |||
| 0.1 - 0.2 Å | 19.9 | ||
| 0.2 - 0.5 Å | 38.9 | ||
| > 0.5 Å | 49.05 | ||
| RMS of distance violation / constraint | 0.68 Å | ||
| Maximum distance violation d | 8.90 Å | ||
| Dihedral angle violations / structure | |||
| 1 - 10 ° | 6.9 | ||
| > 10 ° | 12.9 | ||
| RMS of dihedral angle violation / constraint | 13.57 ° | ||
| Maximum dihedral angle violation d | 139.50 ° | ||
| RPF scores | |||
| Recall | Precision | F-measure | DP-score |
| 0.941 | 0.921 | 0.931 | 0.768 |
| RMSD Values | |||
| all | orderede | Selectedf | |
| All backbone atoms | 1.6 Å | 0.9 Å | 0.9 Å |
| All heavy atoms | 1.9 Å | 1.2 Å | 1.2 Å |
| Structure Quality Factors - overall statistics | |||
| Mean score | SD | Z-score g | |
| Procheck G-factor e (phi / psi only) | -0.15 | N/A | -0.28 |
| Procheck G-factor e (all dihedral angles) | 0.08 | N/A | 0.47 |
| Verify3D | 0.41 | 0.0244 | -0.80 |
| ProsaII (-ve) | 0.66 | 0.0667 | 0.04 |
| MolProbity clashscore | 13.52 | 3.1460 | -0.79 |
| General linear model RMSD prediction | 1.18 | ||
| Ramachandran Plot Summary from Procheck f | |||
| Most favoured regions | 93.5% | ||
| Additionally allowed regions | 6.5% | ||
| Generously allowed regions | 0.0% | ||
| Disallowed regions | 0.0% | ||
| Ramachandran Plot Statistics from Richardson's lab | |||
| Most favoured regions | 98% | ||
| Allowed regions | 2% | ||
| Disallowed regions | 0% |