Table 1. NMR and refinement statistics for pSRII structures.
| pSRII | |
|---|---|
| NMR distance and dihedral constraints | |
| Distance constraints | |
| Total NOE | 5564 |
| Intra-residue | 1561 |
| Inter-residue | |
| Sequential (|i – j| = 1) | 1336 |
| Medium-range (|i – j| < 4) | 1131 |
| Long-range (|i – j| > 5) | 1536 |
| Hydrogen bonds | 132 |
| Total dihedral angle restraints | |
| φ (TALOS) | 190 |
| Ψ (TALOS) | 190 |
| Structure statistics | |
| Violations (mean ± s.d.) | |
| Distance constraints (Å) | 0.0125 ± 0.0009 |
| Dihedral angle constraints (°) | 0.432 ± 0.044 |
| Max. dihedral angle violation (°) | 0.580 |
| Max. distance constraint violation (Å) | 0.0148 |
| Deviations from idealized geometry | |
| Bond lengths (Å) | 0.00173 ± 0.00006 |
| Bond angles (°) | 0.343 ± 0.007 |
| Impropers (°) | 0.263 ± 0.01 |
| Average pairwise r.m.s. deviationa (Å) | |
| Heavyb | 0.866 |
| Backboneb | 0.481 |
a
Pairwise r.m.s. deviation was calculated among 30 refined structures.
b
Statistics applied in transmembrane and loop regions (residues 1–221).