Analyses performed for user defined residues.
| Summary of conformationally-restricting experimental constraints a | |||
| NOE-based distance constraints: | |||
| Total | 2064 | ||
| intra-residue [i = j] | 388 | ||
| sequential [| i - j | = 1] | 611 | ||
| medium range [1 < | i - j | < 5] | 440 | ||
| long range [| i - j | ≥ 5] | 625 | ||
| NOE constraints per restrained residue b | 17.8 | ||
| Dihedral-angle constraints: | 128 | ||
| Total number of restricting constraints b | 2192 | ||
| Total number of restricting constraints per restrained residue b | 18.9 | ||
| Restricting long-range constraints per restrained residue b | 5.4 | ||
| Total structures computed | currently unknown | ||
| Number of structures used | 20 | ||
| Residual constraint violations a,c | |||
| Distance violations / structure | |||
| 0.1 - 0.2 Å | 6.35 | ||
| 0.2 - 0.5 Å | 2.9 | ||
| > 0.5 Å | 1.85 | ||
| RMS of distance violation / constraint | 0.03 Å | ||
| Maximum distance violation d | 1.95 Å | ||
| Dihedral angle violations / structure | |||
| 1 - 10 ° | 1.05 | ||
| > 10 ° | 0.45 | ||
| RMS of dihedral angle violation / constraint | 1.02 ° | ||
| Maximum dihedral angle violation d | 23.60 ° | ||
| RPF scores | |||
| Recall | Precision | F-measure | DP-score |
| 0.905 | 0.926 | 0.915 | 0.737 |
| RMSD Values | |||
| all | orderede | Selectedf | |
| All backbone atoms | 2.2 Å | 0.8 Å | 0.8 Å |
| All heavy atoms | 2.7 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) | -0.22 | N/A | -0.55 |
| Procheck G-factor e (all dihedral angles) | -0.02 | N/A | -0.12 |
| Verify3D | 0.30 | 0.0339 | -2.57 |
| ProsaII (-ve) | 0.48 | 0.0455 | -0.70 |
| MolProbity clashscore | 5.33 | 1.6486 | 0.61 |
| General linear model RMSD prediction | 1.79 | ||
| Ramachandran Plot Summary from Procheck f | |||
| Most favoured regions | 90.7% | ||
| Additionally allowed regions | 9.3% | ||
| Generously allowed regions | 0.0% | ||
| Disallowed regions | 0.0% | ||
| Ramachandran Plot Statistics from Richardson's lab | |||
| Most favoured regions | 96.9% | ||
| Allowed regions | 2.6% | ||
| Disallowed regions | 0.5% |