TABLE 1.
Structural statistics for Nav 1.2 CTD
Quality statistics are given for residues Leu-1790—Glyu-1868 of the 15 lowest energy structures out of 200 total structures calculated. Errors shown are S.D. for the ensemble. r.m.s.d., root mean square deviation.
| Quantity | Value |
|---|---|
| Unique NOE distance restraints | 1772 |
| Intra-residual | 699 |
| Sequential | 442 |
| Medium range (2 ≤ i ≤ 5) | 321 |
| Long range (i > 5) | 310 |
| Residual violations >0.3 Å per structure (n = 15) | 1.2 ± 1.1 |
| Maximum violation (Å) | 0.27 ± 0.2 |
| NOE completeness per shell | |
| 2.0-2.5 Å (%) | 87 |
| 2.5-3.0 Å (%) | 69 |
| 3.0-3.5 Å (%) | 57 |
| 3.5-4.0 Å (%) | 44 |
| TALOS dihedral restraints (ϕ, ψ) | 65, 65 |
| Residual dipolar coupling restraints | |
| H-N | 41 |
| N-C′ | 64 |
| Hα-Cα | 44 |
| R-value; Q-factor (64 C′-Cα couplings) | 0.93 ± 0.02; 0.38 ± 0.05 |
| PROCHECK | |
| Most favored (%) | 82.2 ± 1.6 |
| Allowed (%) | 15.8 ± 1.7 |
| Generously allowed (%) | 1.41 ± 0.8 |
| Disallowed (%) | 0.5 ± 0.9 |
| MolProbity score; all-atom clash score (percentiles) | 3.09 (20th); 20.33 (31th) |
| Average backbone r.m.s.d. (Å) | 0.80 |
| Average all atom r.m.s.d. (Å) | 1.29 |