Analyses performed for user defined residues.
| Summary of conformationally-restricting experimental constraints a | |||
| NOE-based distance constraints: | |||
| Total | 1792 | ||
| intra-residue [i = j] | 395 | ||
| sequential [| i - j | = 1] | 431 | ||
| medium range [1 < | i - j | < 5] | 486 | ||
| long range [| i - j | ≥ 5] | 480 | ||
| NOE constraints per restrained residue b | 18.9 | ||
| Dihedral-angle constraints: | 165 | ||
| Total number of restricting constraints b | 1957 | ||
| Total number of restricting constraints per restrained residue b | 20.6 | ||
| Restricting long-range constraints per restrained residue b | 5.1 | ||
| Total structures computed | currently unknown | ||
| Number of structures used | 20 | ||
| Residual constraint violations a,c | |||
| Distance violations / structure | |||
| 0.1 - 0.2 Å | 1.85 | ||
| 0.2 - 0.5 Å | 1.25 | ||
| > 0.5 Å | 2.25 | ||
| RMS of distance violation / constraint | 0.09 Å | ||
| Maximum distance violation d | 2.98 Å | ||
| Dihedral angle violations / structure | |||
| 1 - 10 ° | 0.05 | ||
| > 10 ° | 1 | ||
| RMS of dihedral angle violation / constraint | 1.05 ° | ||
| Maximum dihedral angle violation d | 16.70 ° | ||
| RPF scores | |||
| Recall | Precision | F-measure | DP-score |
| 0.956 | 0.898 | 0.926 | 0.81 |
| RMSD Values | |||
| all | orderede | Selectedf | |
| All backbone atoms | 1.9 Å | 0.3 Å | 0.3 Å |
| All heavy atoms | 2.4 Å | 0.5 Å | 0.5 Å |
| Structure Quality Factors - overall statistics | |||
| Mean score | SD | Z-score g | |
| Procheck G-factor e (phi / psi only) | 0.42 | N/A | 1.97 |
| Procheck G-factor e (all dihedral angles) | 0.48 | N/A | 2.84 |
| Verify3D | 0.43 | 0.0199 | -0.48 |
| ProsaII (-ve) | 0.96 | 0.0489 | 1.28 |
| MolProbity clashscore | 4.34 | 1.3025 | 0.78 |
| General linear model RMSD prediction | 0.71 | ||
| Ramachandran Plot Summary from Procheck f | |||
| Most favoured regions | 97.6% | ||
| Additionally allowed regions | 2.4% | ||
| Generously allowed regions | 0.0% | ||
| Disallowed regions | 0.0% | ||
| Ramachandran Plot Statistics from Richardson's lab | |||
| Most favoured regions | 99.8% | ||
| Allowed regions | 0.2% | ||
| Disallowed regions | 0% |