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 | 3 | ||
| 0.2 - 0.5 Å | 0.85 | ||
| > 0.5 Å | 0 | ||
| RMS of distance violation / constraint | 0.01 Å | ||
| Maximum distance violation d | 0.38 Å | ||
| Dihedral angle violations / structure | |||
| 1 - 10 ° | 3.55 | ||
| > 10 ° | 0 | ||
| RMS of dihedral angle violation / constraint | 0.49 ° | ||
| Maximum dihedral angle violation d | 6.50 ° | ||
| RPF scores | |||
| Recall | Precision | F-measure | DP-score |
| 0.954 | 0.899 | 0.926 | 0.813 |
| RMSD Values | |||
| all | orderede | Selectedf | |
| All backbone atoms | 1.9 Å | 0.5 Å | 0.5 Å |
| All heavy atoms | 2.5 Å | 0.7 Å | 0.7 Å |
| Structure Quality Factors - overall statistics | |||
| Mean score | SD | Z-score g | |
| Procheck G-factor e (phi / psi only) | 0.17 | N/A | 0.98 |
| Procheck G-factor e (all dihedral angles) | 0.13 | N/A | 0.77 |
| Verify3D | 0.41 | 0.0176 | -0.80 |
| ProsaII (-ve) | 0.98 | 0.0400 | 1.36 |
| MolProbity clashscore | 14.70 | 2.4173 | -1.00 |
| General linear model RMSD prediction | 0.97 | ||
| Ramachandran Plot Summary from Procheck f | |||
| Most favoured regions | 94.1% | ||
| Additionally allowed regions | 5.9% | ||
| Generously allowed regions | 0.0% | ||
| Disallowed regions | 0.0% | ||
| Ramachandran Plot Statistics from Richardson's lab | |||
| Most favoured regions | 96.9% | ||
| Allowed regions | 3.1% | ||
| Disallowed regions | 0% |