| NMR Distance and Dihedral Constraints |
| Distance Constraints |
|
| total NOE |
1504 |
| intraresidue |
489 |
| inter-residue |
|
| sequential
(|i – j| = 1) |
437 |
| medium-range (|i – j| ≤ 5) |
137 |
| long-range (|i – j| > 5) |
441 |
| hydrogen
bonds |
39 |
| Total Dihedral Angle
Restraints |
|
| ϕ |
85 |
| ψ |
81 |
| χ1
|
36 |
| total RDCs |
50 |
| Percent Resonance Assignments |
|
| backbone,
with CA (%) |
96.0 |
| side chain, without CA (%) |
83.8 |
| Structure Statistics |
| Constraint Violations (mean
and SD) |
|
| distance constraints |
|
| number >0.2 Å |
1.2 ± 1.1 |
| rms deviation
(Å) |
0.015 ± 0.002 |
| dihedral
angle constraints |
|
| number >5° |
1.9 ± 0.9 |
| rms deviation
(deg) |
0.857 ± 0.110 |
| RDCs |
|
| number >5 (Qa) |
0.0 ± 0.0 |
| rms deviation
(Qa) |
0.174 ± 0.052 |
| Deviations from Idealized
Geometry |
|
| bond lengths (Å) |
0.002 ± 0.000 |
| bond angles
(deg) |
0.440 ± 0.010 |
| impropers
(deg) |
0.380 ± 0.025 |
| Average Pairwise rms Deviation
from Average Model (Å) Residues L1033–V1118 |
|
| backbone |
0.397 |
| heavy |
0.723 |
| Ramachandran Statistics |
| PROCHECK-NMR (includes all nonterminal, non-glycine,
and non-proline
residues) |
| most favored
regions (%) |
86.7 |
| additionally allowed regions (%) |
11.3 |
| generously allowed regions (%) |
1.7 |
| disallowed regions (%) |
0.3 |
