Analyses performed for user defined residues.
| Summary of conformationally-restricting experimental constraints a | |||
| NOE-based distance constraints: | |||
| Total | 1513 | ||
| intra-residue [i = j] | 373 | ||
| sequential [| i - j | = 1] | 424 | ||
| medium range [1 < | i - j | < 5] | 206 | ||
| long range [| i - j | ≥ 5] | 510 | ||
| NOE constraints per restrained residue b | 11.2 | ||
| Dihedral-angle constraints: | 660 | ||
| Total number of restricting constraints b | 2173 | ||
| Total number of restricting constraints per restrained residue b | 16.1 | ||
| Restricting long-range constraints per restrained residue b | 3.8 | ||
| Total structures computed | currently unknown | ||
| Number of structures used | 20 | ||
| Residual constraint violations a,c | |||
| Distance violations / structure | |||
| 0.1 - 0.2 Å | 13.15 | ||
| 0.2 - 0.5 Å | 11.65 | ||
| > 0.5 Å | 2.45 | ||
| RMS of distance violation / constraint | 0.03 Å | ||
| Maximum distance violation d | 1.00 Å | ||
| Dihedral angle violations / structure | |||
| 1 - 10 ° | 1.55 | ||
| > 10 ° | 0.9 | ||
| RMS of dihedral angle violation / constraint | 0.77 ° | ||
| Maximum dihedral angle violation d | 41.80 ° | ||
| RMSD Values | |||
| all | orderede | Selectedf | |
| All backbone atoms | 5.4 Å | 0.7 Å | 0.7 Å |
| All heavy atoms | 6.1 Å | 1.0 Å | 1.0 Å |
| Structure Quality Factors - overall statistics | |||
| Mean score | SD | Z-score g | |
| Procheck G-factor e (phi / psi only) | 0.16 | N/A | 0.94 |
| Procheck G-factor e (all dihedral angles) | 0.21 | N/A | 1.24 |
| Verify3D | 0.41 | 0.0245 | -0.80 |
| ProsaII (-ve) | 0.52 | 0.0545 | -0.54 |
| MolProbity clashscore | 7.29 | 1.7318 | 0.27 |
| Ramachandran Plot Summary from Procheck f | |||
| Most favoured regions | 94.9% | ||
| Additionally allowed regions | 5.0% | ||
| Generously allowed regions | 0.1% | ||
| Disallowed regions | 0.0% | ||
| Ramachandran Plot Statistics from Richardson's lab | |||
| Most favoured regions | 99.6% | ||
| Allowed regions | 0.4% | ||
| Disallowed regions | 0% |