Table I.
Structural Statistics for the Ensembles of 20 Structures of S6wt and P54-55
| S6wt | P54-55 | |
|---|---|---|
| Number of NOE-derived distance restraints | ||
| Total number | 745 | 770 |
| Intraresidue | 252 | 213 |
| Sequential (|i − j| = 1) | 307 | 303 |
| Medium range (2 ≤ |i − j| ≤ 4) | 97 | 138 |
| Long range (|i − j| ≥ 5) | 89 | 116 |
| Number of dihedral angle restraints | ||
| Backbone φ-angle | 90 | 88 |
| Backbone ψ-angle | 65 | 65 |
| Average number of violations | ||
| Distance restraints >0.5 Å | 0 | 0 |
| Dihedral angle restraints >5° | 0 | 0 |
| Deviations from idealized covalent geometry | ||
| Bonds (Å) | 0.0022 ± 0.0001 | 0.0032 ± 0.0001 |
| Angles (°) | 0.54 ± 0.01 | 0.57 ± 0.01 |
| Impropers (°) | 0.39 ± 0.01 | 0.44 ± 0.01 |
| Ramachandran plot analysis, residues | 3–42, 59–91 | 6–85 |
| Most favored regions (%) | 95.0 | 84.1 |
| Additionally allowed regions (%) | 4.9 | 14.5 |
| Generously allowed regions (%) | 0.1 | 1.3 |
| Disallowed regions (%) | 0.0 | 0.0 |
| Atomic RMSD, residues | 3–42, 59–91 | 6–85 |
| Backbone heavy atoms (Å) | 0.95 | 0.66 |
| All heavy atoms (Å) | 1.60 | 1.44 |
| PDB-ID | 2KJV | 2KJW |