Analyses performed for user defined residues.
| Summary of conformationally-restricting experimental constraints a | |||
| NOE-based distance constraints: | |||
| Total | 1571 | ||
| intra-residue [i = j] | 333 | ||
| sequential [| i - j | = 1] | 481 | ||
| medium range [1 < | i - j | < 5] | 425 | ||
| long range [| i - j | ≥ 5] | 332 | ||
| NOE constraints per restrained residue b | 14.7 | ||
| Dihedral-angle constraints: | 399 | ||
| Total number of restricting constraints b | 1970 | ||
| Total number of restricting constraints per restrained residue b | 18.4 | ||
| Restricting long-range constraints per restrained residue b | 3.1 | ||
| Total structures computed | currently unknown | ||
| Number of structures used | 20 | ||
| Residual constraint violations a,c | |||
| Distance violations / structure | |||
| 0.1 - 0.2 Å | 16.2 | ||
| 0.2 - 0.5 Å | 33.5 | ||
| > 0.5 Å | 61.95 | ||
| RMS of distance violation / constraint | 0.93 Å | ||
| Maximum distance violation d | 14.48 Å | ||
| Dihedral angle violations / structure | |||
| 1 - 10 ° | 12.55 | ||
| > 10 ° | 7.4 | ||
| RMS of dihedral angle violation / constraint | 7.69 ° | ||
| Maximum dihedral angle violation d | 149.20 ° | ||
| RPF scores | |||
| Recall | Precision | F-measure | DP-score |
| 0.932 | 0.949 | 0.941 | 0.683 |
| RMSD Values | |||
| all | orderede | Selectedf | |
| All backbone atoms | 9.0 Å | 1.2 Å | 1.2 Å |
| All heavy atoms | 9.3 Å | 1.6 Å | 1.6 Å |
| Structure Quality Factors - overall statistics | |||
| Mean score | SD | Z-score g | |
| Procheck G-factor e (phi / psi only) | 0.21 | N/A | 1.14 |
| Procheck G-factor e (all dihedral angles) | 0.31 | N/A | 1.83 |
| Verify3D | 0.37 | 0.0441 | -1.44 |
| ProsaII (-ve) | 0.60 | 0.0538 | -0.21 |
| MolProbity clashscore | 3.98 | 1.4780 | 0.84 |
| General linear model RMSD prediction | 1.55 | ||
| Ramachandran Plot Summary from Procheck f | |||
| Most favoured regions | 92.2% | ||
| Additionally allowed regions | 7.8% | ||
| Generously allowed regions | 0.1% | ||
| Disallowed regions | 0.0% | ||
| Ramachandran Plot Statistics from Richardson's lab | |||
| Most favoured regions | 97.9% | ||
| Allowed regions | 2% | ||
| Disallowed regions | 0.1% |