TABLE 2.
Geometric and energetic statistics for the 20 lowest energy structures of varv F
| NMR distance and dihedral constraints | |
|---|---|
| Distance constraints | |
| Total NOE | 279 |
| Intra-residue | 151 |
| Inter-residue | 128 |
| Sequential (|i-j| = 1) | 65 |
| Medium range (|i-j| ≤ 4) | 34 |
| Long-range (|i-j| ≥ 5) | 29 |
| Intermolecular | 0 |
| Hydrogen bonds | 9 |
| Total dihedral angles | 29 |
| φ | 15 |
| χ1 | 14 |
| Structure statistics | |
| Violations (mean ± S.D.) | |
| Distance constraints (Å) | –0.12 ± 0.06 |
| Dihedral angle constraints (°) | –2.34 ± 0.32 |
| Max. dihedral angle violation (°) | –3.39 |
| Max. distance constraint violation (Å) | –0.30 |
| Deviations from idealized geometry | |
| Bond lengths (Å) | 0.004 ± 0.0002 |
| Bond angles (°) | 0.53 ± 0.05 |
| Impropers (°) | 0.46 ± 0.05 |
| Average pairwise root mean square deviationa (Å) | |
| Backbone | 0.37 ± 0.14 |
| Heavy | 0.91 ± 0.23 |
a
Pairwise room mean square deviation was calculated among 20 refined structures