Summary of conformationally-restricting constraints and structure quality factors
Summary of experimental constraints
Distance constraints:
| Total | 715 |
| intra-residue [i = j] | 69 |
| sequential [(i - j) = 1] | 211 |
| medium range [1 < (i - j) <= 5] | 182 |
| long range [(i - j) > 5] | 253 |
| Number of distance constraints per residue | 7.0 |
| Dihedral-angle constraints: | 118 |
Hydrogen bond constraints:
| Total | 50 |
| long range [(i - j) > 5] | 16 |
| Total number of constraints (all) per residue | 8.7 |
|
| Total number of long-range constraints per residue | 2.6 |
| Number of structures computed | currently unknown | |
|
| Number of structures used | currently unknown |
Residual constraint violations
| Maximum distance violation a | 0.54 Ang |
Mean distance violations b
| 0.1 - 0.2 Ang | 3 |
| 0.2 - 0.5 Ang | 1 |
| > 0.5 Ang | 0 |
| Maximum Van der Waals violation a | 0.52 Ang |
Mean Van der Waals violations b
| 0.1 - 0.2 Ang | 2 |
| 0.2 - 0.5 Ang | 2 |
| > 0.5 Ang | 0 |
| Maximum dihedral angle violation a | 0.08 deg |
Mean dihedral angle violations b
RMSD Values
| all residues | ordered residuesc |
| All backbone atoms | 0.6 Ang | 0.4 Ang |
| All heavy atoms | 1.2 Ang | 1.0 Ang |
Structure Quality Factors - overall statistics
| Mean score for all models | Standard Deviation |
| Procheck G-factor (phi and psi only) c | -0.60 | 0.13 |
| Procheck G-factor (all dihedral angles) c | -1.02 | 0.10 |
| Profile3d | 0.17 | 0.01 |
Ramachandran Plot Summary from Procheck c
| Most favoured regions | 86.1% |
| Additionally allowed regions | 10.4% |
| Generously allowed regions | 3.5% |
| Disallowed regions | 0.0% |
a Largest constraint violation among all the reported structures
b Number of constraints with mean violations, from all reported models, within the indicated range
c Residues with sum of phi and psi order parameters > 1.8