Table 2 Structure quality report.
NMR Distance & dihedral constraints | |
|---|---|
Distance constraints | |
Total NOE | 1237 |
Intra-residue (i = j) | 276 |
Sequential (i − j) = 1 | 454 |
Backbone-backbone | 132 |
Backbone-side chain | 62 |
Side chain-side chain | 260 |
Medium range 1 < (i − j) < 5 | 243 |
Backbone-backbone | 82 |
Backbone-side chain | 65 |
Side chain-side chain | 96 |
Long range (i − j) >= 5 | 264 |
Intra-chain | 1237 |
Hydrogen bonds | 0 |
Total dihedral angle restraints | 235 |
Phi | 115 |
Psi | 120 |
Total RDCs | 57 |
Structure Statistics (20 structures) | |
Violations (mean.) | |
Distance restraints Å | 0.07 |
Dihedral angle restraints (°) | 0.76 |
Max. dihedral angle violation (°) | 15.56 |
Max. distance restraint violation (Å) | 0.16 |
Deviations from idealized geometry | |
Bond lengths (Å) | 0.024 |
Bond angles (°) | 2.06 |
Average pairwise RMSD** (Å) | |
Heavy (43–184) | 7.259 |
Backbone (43–184) | 7.307 |
Heavy (80–184) | 1.755 |
Backbone (80–184) | 1.144 |
Amber Energy | |
Mean constraint energy (kcal/mol) | 28.23 |
Mean AMBER energy (kcal/mol) | −154193.86 |
RDC | |
Q | 20% |
