Analyses performed for user defined residues.
| Summary of conformationally-restricting experimental constraints a | |||
| NOE-based distance constraints: | |||
| Total | 1499 | ||
| intra-residue [i = j] | 201 | ||
| sequential [| i - j | = 1] | 471 | ||
| medium range [1 < | i - j | < 5] | 175 | ||
| long range [| i - j | ≥ 5] | 652 | ||
| NOE constraints per restrained residue b | 13.0 | ||
| Dihedral-angle constraints: | 0 | ||
| Total number of restricting constraints b | 1499 | ||
| Total number of restricting constraints per restrained residue b | 13.0 | ||
| Restricting long-range constraints per restrained residue b | 5.7 | ||
| Total structures computed | currently unknown | ||
| Number of structures used | 20 | ||
| Residual constraint violations a,c | |||
| Distance violations / structure | |||
| 0.1 - 0.2 Å | 1.9 | ||
| 0.2 - 0.5 Å | 5.95 | ||
| > 0.5 Å | 10.85 | ||
| RMS of distance violation / constraint | 0.21 Å | ||
| Maximum distance violation d | 5.77 Å | ||
| RPF scores | |||
| Recall | Precision | F-measure | DP-score |
| 0.95 | 0.933 | 0.941 | 0.789 |
| RMSD Values | |||
| all | orderede | Selectedf | |
| All backbone atoms | 3.9 Å | 0.8 Å | 0.8 Å |
| All heavy atoms | 4.2 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) | -0.51 | N/A | -1.69 |
| Procheck G-factor e (all dihedral angles) | -0.07 | N/A | -0.41 |
| Verify3D | 0.40 | 0.0331 | -0.96 |
| ProsaII (-ve) | 0.48 | 0.0596 | -0.70 |
| MolProbity clashscore | 3.53 | 1.4039 | 0.92 |
| General linear model RMSD prediction | 1.89 | ||
| Ramachandran Plot Summary from Procheck f | |||
| Most favoured regions | 88.9% | ||
| Additionally allowed regions | 11.1% | ||
| Generously allowed regions | 0.0% | ||
| Disallowed regions | 0.0% | ||
| Ramachandran Plot Statistics from Richardson's lab | |||
| Most favoured regions | 98.8% | ||
| Allowed regions | 1.2% | ||
| Disallowed regions | 0% |