Analyses performed for user defined residues.
| Summary of conformationally-restricting experimental constraints a | |||
| NOE-based distance constraints: | |||
| Total | 2261 | ||
| intra-residue [i = j] | 615 | ||
| sequential [| i - j | = 1] | 620 | ||
| medium range [1 < | i - j | < 5] | 297 | ||
| long range [| i - j | ≥ 5] | 729 | ||
| NOE constraints per restrained residue b | 17.0 | ||
| Dihedral-angle constraints: | 203 | ||
| Total number of restricting constraints b | 2464 | ||
| Total number of restricting constraints per restrained residue b | 18.5 | ||
| Restricting long-range constraints per restrained residue b | 5.5 | ||
| Total structures computed | currently unknown | ||
| Number of structures used | 20 | ||
| Residual constraint violations a,c | |||
| Distance violations / structure | |||
| 0.1 - 0.2 Å | 6.6 | ||
| 0.2 - 0.5 Å | 3.6 | ||
| > 0.5 Å | 2.1 | ||
| RMS of distance violation / constraint | 0.03 Å | ||
| Maximum distance violation d | 1.23 Å | ||
| Dihedral angle violations / structure | |||
| 1 - 10 ° | 0.6 | ||
| > 10 ° | 0.1 | ||
| RMS of dihedral angle violation / constraint | 0.35 ° | ||
| Maximum dihedral angle violation d | 11.80 ° | ||
| RPF scores | |||
| Recall | Precision | F-measure | DP-score |
| 0.974 | 0.884 | 0.927 | 0.753 |
| RMSD Values | |||
| all | orderede | Selectedf | |
| All backbone atoms | 5.4 Å | 4.7 Å | 4.0 Å |
| All heavy atoms | 5.6 Å | 4.6 Å | 3.9 Å |
| Structure Quality Factors - overall statistics | |||
| Mean score | SD | Z-score g | |
| Procheck G-factor e (phi / psi only) | -0.19 | N/A | -0.43 |
| Procheck G-factor e (all dihedral angles) | 0.06 | N/A | 0.35 |
| Verify3D | 0.34 | 0.0243 | -1.93 |
| ProsaII (-ve) | 0.47 | 0.0487 | -0.74 |
| MolProbity clashscore | 6.13 | 1.3408 | 0.47 |
| General linear model RMSD prediction | 1.84 | ||
| Ramachandran Plot Summary from Procheck f | |||
| Most favoured regions | 89.6% | ||
| Additionally allowed regions | 10.2% | ||
| Generously allowed regions | 0.0% | ||
| Disallowed regions | 0.1% | ||
| Ramachandran Plot Statistics from Richardson's lab | |||
| Most favoured regions | 97.9% | ||
| Allowed regions | 2% | ||
| Disallowed regions | 0.1% |