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 | 7.8 |
| Dihedral-angle constraints: | 118 |
Hydrogen bond constraints:
| Total | 50 |
| long range [(i - j) > 5] | 16 |
| Total number of constraints (all) per residue | 9.6 |
|
| Total number of long-range constraints per residue | 2.9 |
| Number of structures computed | currently unknown | |
|
| Number of structures used | currently unknown |
Residual constraint violations
Distance violations
| 0.1 - 0.2 Ang | 3 |
| 0.2 - 0.5 Ang | 1 |
| > 0.5 Ang | 0 |
| max dist viol | 0.54 Ang |
| ave dist viol | 0.40 Ang |
VdW violations
| 0.1 - 0.2 Ang | 2 |
| 0.2 - 0.5 Ang | 2 |
| > 0.5 Ang | 0 |
| max VdW viol | 0.52 Ang |
| ave VdW viol | 0.32 Ang |
Dihedral angle violations
| 0 - 10 deg | 0 |
| > 10 deg | 0 |
| max angle viol | 0.08 deg |
| ave angle viol | 0.05 deg |
RMSD Values
| all residues | residues with order parameter >= 0.85 |
| 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) | -0.76 | 0.14 |
| Procheck G-factor (all dihedral angles) | -1.14 | 0.10 |
| Profile3d | 0.33 | 0.01 |