Analyses performed for user defined residues.
| Summary of conformationally-restricting experimental constraints a | |||
| NOE-based distance constraints: | |||
| Total | 1755 | ||
| intra-residue [i = j] | 455 | ||
| sequential [| i - j | = 1] | 498 | ||
| medium range [1 < | i - j | < 5] | 256 | ||
| long range [| i - j | ≥ 5] | 546 | ||
| NOE constraints per restrained residue b | 20.6 | ||
| Dihedral-angle constraints: | 125 | ||
| Total number of restricting constraints b | 1880 | ||
| Total number of restricting constraints per restrained residue b | 22.1 | ||
| Restricting long-range constraints per restrained residue b | 6.4 | ||
| Total structures computed | currently unknown | ||
| Number of structures used | 20 | ||
| Residual constraint violations a,c | |||
| Distance violations / structure | |||
| 0.1 - 0.2 Å | 1.55 | ||
| 0.2 - 0.5 Å | 0.95 | ||
| > 0.5 Å | 0.5 | ||
| RMS of distance violation / constraint | 0.01 Å | ||
| Maximum distance violation d | 0.65 Å | ||
| Dihedral angle violations / structure | |||
| 1 - 10 ° | 0.05 | ||
| > 10 ° | 0 | ||
| RMS of dihedral angle violation / constraint | 0.20 ° | ||
| Maximum dihedral angle violation d | 9.80 ° | ||
| RPF scores | |||
| Recall | Precision | F-measure | DP-score |
| 0.983 | 0.928 | 0.955 | 0.819 |
| RMSD Values | |||
| all | orderede | Selectedf | |
| All backbone atoms | 2.5 Å | 0.4 Å | 0.4 Å |
| All heavy atoms | 2.8 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) | -0.11 | N/A | -0.12 |
| Procheck G-factor e (all dihedral angles) | 0.18 | N/A | 1.06 |
| Verify3D | 0.39 | 0.0266 | -1.12 |
| ProsaII (-ve) | 0.65 | 0.0433 | 0.00 |
| MolProbity clashscore | 3.76 | 1.4670 | 0.88 |
| General linear model RMSD prediction | 1.03 | ||
| 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 | 99.1% | ||
| Allowed regions | 0.9% | ||
| Disallowed regions | 0% |