|
Non-redundant distance and angle constrains
|
|
|
| Total number of NOE constraints |
556 |
859 |
| Short-range NOEs (i, i+1) |
327 |
467 |
| Medium-range NOEs (i, i>1 i≤4) |
109 |
201 |
| Long-range NOEs (i, i≥5) |
117 |
188 |
| Torsion angles |
- |
64 |
| Hydrogen bond restrains |
64 |
- |
| Restricting constraints per restrained residue |
12.4 |
18.1 |
|
Residual constraint violations
|
|
|
| Distance violations per structure |
|
|
| 0.1–0.2 Å |
9.2 |
0.34 |
| 0.2–0.5 Å |
4.95 |
0.02 |
| >0.5 Å |
0 |
0 |
| r.m.s. of distance violation per constraint |
0.04 Å |
0.01 Å |
| Maximum distance violation |
0.50 Å |
0.21 Å |
| Dihedral angle violations per structure |
|
|
| 1–10° |
- |
1.68 |
| >10° |
- |
0 |
| r.m.s. of dihedral violations per constraint |
- |
0.70° |
| Maximum dihedral angle violation |
- |
5.10° |
|
Ramachandran plot summary from Procheck
|
|
|
| Most favoured regions |
97.6 % |
92.4 % |
| Additionally allowed regions |
2.1 % |
7.6 % |
| Generously allowed regions |
0.3 % |
0.0 % |
| Disallowed regions |
0.0 % |
0.0 % |
|
r.m.s.d. to the mean structure
|
ordered |
all residues |
ordered |
all residues |
| All backbone atoms |
0.7 Å |
2.0 Å |
0.6 Å |
0.7 Å |
| All heavy atoms |
1.2 Å |
2.5 Å |
1.0 Å |
1.1 Å |
