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 | 12.65 | ||
| 0.2 - 0.5 Å | 28.95 | ||
| > 0.5 Å | 82.85 | ||
| RMS of distance violation / constraint | 0.63 Å | ||
| Maximum distance violation d | 9.08 Å | ||
| Dihedral angle violations / structure | |||
| 1 - 10 ° | 2.75 | ||
| > 10 ° | 2.55 | ||
| RMS of dihedral angle violation / constraint | 2.34 ° | ||
| Maximum dihedral angle violation d | 31.10 ° | ||
| RPF scores | |||
| Recall | Precision | F-measure | DP-score |
| 0.948 | 0.902 | 0.924 | 0.806 |
| RMSD Values | |||
| all | orderede | Selectedf | |
| All backbone atoms | 2.0 Å | 0.5 Å | 0.5 Å |
| All heavy atoms | 2.5 Å | 0.8 Å | 0.8 Å |
| Structure Quality Factors - overall statistics | |||
| Mean score | SD | Z-score g | |
| Procheck G-factor e (phi / psi only) | 0.25 | N/A | 1.30 |
| Procheck G-factor e (all dihedral angles) | 0.43 | N/A | 2.54 |
| Verify3D | 0.42 | 0.0232 | -0.64 |
| ProsaII (-ve) | 0.96 | 0.0313 | 1.28 |
| MolProbity clashscore | 1.72 | 0.7753 | 1.23 |
| General linear model RMSD prediction | 0.88 | ||
| Ramachandran Plot Summary from Procheck f | |||
| Most favoured regions | 94.2% | ||
| Additionally allowed regions | 5.8% | ||
| Generously allowed regions | 0.0% | ||
| Disallowed regions | 0.0% | ||
| Ramachandran Plot Statistics from Richardson's lab | |||
| Most favoured regions | 99.4% | ||
| Allowed regions | 0.6% | ||
| Disallowed regions | 0% |