Analyses performed for user defined residues.
| Summary of conformationally-restricting experimental constraints a | |||
| NOE-based distance constraints: | |||
| Total | 712 | ||
| intra-residue [i = j] | 80 | ||
| sequential [| i - j | = 1] | 245 | ||
| medium range [1 < | i - j | < 5] | 236 | ||
| long range [| i - j | ≥ 5] | 151 | ||
| NOE constraints per restrained residue b | 9.6 | ||
| Dihedral-angle constraints: | 90 | ||
| Total number of restricting constraints b | 802 | ||
| Total number of restricting constraints per restrained residue b | 10.8 | ||
| Restricting long-range constraints per restrained residue b | 2.0 | ||
| Total structures computed | currently unknown | ||
| Number of structures used | 20 | ||
| Residual constraint violations a,c | |||
| Distance violations / structure | |||
| 0.1 - 0.2 Å | 0.25 | ||
| 0.2 - 0.5 Å | 0.35 | ||
| > 0.5 Å | 0 | ||
| RMS of distance violation / constraint | 0.01 Å | ||
| Maximum distance violation d | 0.45 Å | ||
| Dihedral angle violations / structure | |||
| 1 - 10 ° | 0.2 | ||
| > 10 ° | 0.45 | ||
| RMS of dihedral angle violation / constraint | 1.21 ° | ||
| Maximum dihedral angle violation d | 19.70 ° | ||
| RPF scores | |||
| Recall | Precision | F-measure | DP-score |
| 0.943 | 0.914 | 0.928 | 0.773 |
| RMSD Values | |||
| all | orderede | Selectedf | |
| All backbone atoms | 4.0 Å | 0.9 Å | 0.9 Å |
| All heavy atoms | 4.4 Å | 1.3 Å | 1.3 Å |
| Structure Quality Factors - overall statistics | |||
| Mean score | SD | Z-score g | |
| Procheck G-factor e (phi / psi only) | 0.51 | N/A | 2.32 |
| Procheck G-factor e (all dihedral angles) | 0.55 | N/A | 3.25 |
| Verify3D | 0.39 | 0.0368 | -1.12 |
| ProsaII (-ve) | 0.85 | 0.0663 | 0.83 |
| MolProbity clashscore | 3.63 | 1.6555 | 0.90 |
| General linear model RMSD prediction | 0.56 | ||
| Ramachandran Plot Summary from Procheck f | |||
| Most favoured regions | 98.5% | ||
| Additionally allowed regions | 1.5% | ||
| 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% |