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 | 0.9 | ||
| 0.2 - 0.5 Å | 0.1 | ||
| > 0.5 Å | 0 | ||
| RMS of distance violation / constraint | 0.00 Å | ||
| Maximum distance violation d | 0.24 Å | ||
| Dihedral angle violations / structure | |||
| 1 - 10 ° | 3.6 | ||
| > 10 ° | 0 | ||
| RMS of dihedral angle violation / constraint | 0.32 ° | ||
| Maximum dihedral angle violation d | 3.30 ° | ||
| RPF scores | |||
| Recall | Precision | F-measure | DP-score |
| 0.911 | 0.93 | 0.92 | 0.753 |
| RMSD Values | |||
| all | orderede | Selectedf | |
| All backbone atoms | 1.6 Å | 0.7 Å | 0.7 Å |
| All heavy atoms | 2.1 Å | 1.1 Å | 1.1 Å |
| Structure Quality Factors - overall statistics | |||
| Mean score | SD | Z-score g | |
| Procheck G-factor e (phi / psi only) | -0.42 | N/A | -1.34 |
| Procheck G-factor e (all dihedral angles) | -0.40 | N/A | -2.37 |
| Verify3D | 0.26 | 0.0192 | -3.21 |
| ProsaII (-ve) | 0.43 | 0.0577 | -0.91 |
| MolProbity clashscore | 22.04 | 2.5878 | -2.26 |
| General linear model RMSD prediction | 1.97 | ||
| Ramachandran Plot Summary from Procheck f | |||
| Most favoured regions | 85.1% | ||
| Additionally allowed regions | 14.5% | ||
| Generously allowed regions | 0.4% | ||
| Disallowed regions | 0.0% | ||
| Ramachandran Plot Statistics from Richardson's lab | |||
| Most favoured regions | 94.2% | ||
| Allowed regions | 5% | ||
| Disallowed regions | 0.8% |