Table 1.
Ensemble of 15 structures | Most representative | ||
---|---|---|---|
RMSD from experimental constraints | |||
NOE distances (Å) | 0.08 ± 0.002 | 0.07 | |
Dihedral Angles (°) | 0.99 ± 0.15 | 0.83 | |
RMSD from secondary structure | |||
Bonds (Å) | 0.003 ± 0.0006 | 0.003 | |
Angles (°) | 0.56 ± 0.01 | 0.57 | |
Impropers (°) | 0.48 ± 0.02 | 0.46 | |
Restraint Data | |||
Long-Range NOEs (|i-j| > 4) | 461 | ||
Medium-Range NOEs (4 > |i-j| > 1) | 401 | ||
Total NOEs | 862 | ||
Intra | 361 | ||
Sequential | 255 | ||
Medium | 111 | ||
Long | 134 | ||
Hydrogen Bond | 71 5 2 | ||
Ψ | 92 | ||
Φ | 90 | ||
NH Backbone RDC Restraints | 68 |