Analyses performed for user defined residues.
| Summary of conformationally-restricting experimental constraints a | |||
| NOE-based distance constraints: | |||
| Total | 1384 | ||
| intra-residue [i = j] | 0 | ||
| sequential [| i - j | = 1] | 220 | ||
| medium range [1 < | i - j | < 5] | 774 | ||
| long range [| i - j | ≥ 5] | 390 | ||
| NOE constraints per restrained residue b | 21.0 | ||
| Hydrogen bond constraints: | |||
| Total | 124 | ||
| long range [| i - j | ≥ 5] | 0 | ||
| Dihedral-angle constraints: | 212 | ||
| Total number of restricting constraints b | 1720 | ||
| Total number of restricting constraints per restrained residue b | 26.1 | ||
| Restricting long-range constraints per restrained residue b | 5.9 | ||
| Total structures computed | currently unknown | ||
| Number of structures used | 20 | ||
| Residual constraint violations a,c | |||
| Distance violations / structure | |||
| 0.1 - 0.2 Å | 0 | ||
| 0.2 - 0.5 Å | 0 | ||
| > 0.5 Å | 0 | ||
| RMS of distance violation / constraint | 0.00 Å | ||
| Maximum distance violation d | 0.04 Å | ||
| Dihedral angle violations / structure | |||
| 1 - 10 ° | 0 | ||
| > 10 ° | 0 | ||
| RMS of dihedral angle violation / constraint | 0.00 ° | ||
| Maximum dihedral angle violation d | 0 ° | ||
| RPF scores | |||
| Recall | Precision | F-measure | DP-score |
| 0.897 | 0.952 | 0.924 | 0.737 |
| RMSD Values | |||
| all | orderede | Selectedf | |
| All backbone atoms | 2.3 Å | 0.5 Å | 0.5 Å |
| All heavy atoms | 2.9 Å | 0.8 Å | 0.8 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) | 0.33 | N/A | 1.95 |
| Verify3D | 0.35 | 0.0173 | -1.77 |
| ProsaII (-ve) | 0.90 | 0.0361 | 1.03 |
| MolProbity clashscore | 19.79 | 2.1836 | -1.87 |
| General linear model RMSD prediction | 1.45 | ||
| Ramachandran Plot Summary from Procheck f | |||
| Most favoured regions | 98.2% | ||
| Additionally allowed regions | 1.8% | ||
| Generously allowed regions | 0.0% | ||
| Disallowed regions | 0.0% | ||
| Ramachandran Plot Statistics from Richardson's lab | |||
| Most favoured regions | 99.3% | ||
| Allowed regions | 0.7% | ||
| Disallowed regions | 0% |