Table 2 NMR distance and dihedral constraints
Distance constraints | |
 Unambiguous | 1146 |
  Intra-residue | 937 |
  Inter-residue | 209 |
   Sequential (|i-j | = 1) | 55 |
   Medium-range (1 ≤ |i-j | <5) | 43 |
   Long-range (|i-j | ≥ 5) (sidechain-sidechain) | 111 (56) |
 Ambiguous | 193 |
Total 13C-13C restraints | 1339 |
Restraints/Residue | 3.85 |
Summary of dihedral angle restraints | |
 ϕ | 247 |
 ψ | 247 |
Structure statistics from 22 lowest energy subunits | |
Violations (mean ± s.d.) | |
  Distance restraints ≥ 7.2 Å (Å) | 0.168 ± 0.001 |
  Dihedral angle restraints ≥ 5° (°) | 1.421 ± 0.077 |
  Max. distance restraint violationa (Å) | 0.855 |
  Max. dihedral angle restraint violation (°) | 13.230 |
Deviations from idealized geometry | |
  Bond lengths (Å) | 0.005 ± 0.010 |
  Bond angles (°) | 0.667 ± 0.388 |
  Impropers (°) | 0.756 ± 1.152 |
Average pairwise r.m.s.d.a (Ã…) | |
  Heavy | 1.24 ± 0.09 |
  Backbone (N, Cα, C) | 0.89 ± 0.09 |
