Total distance restraints | 2161 |
---|---|
Short-range |i - j| ≤ 1 | 1081 |
Medium-range, 1 < |i - j| < 5 | 379 |
Long-range, |i - j| ≥ 5 | 764 |
Restraints per residue | 19.5 |
Violation statistics | |
Maximum NOE restraint violation (Å) | 0.16 |
Number of NOE violations > 0.10 Å | 3 ± 2 |
Energies | |
Average restraint violation energy (kcal/mol ± SD) | 9.55 ± 0.86 |
Average AMBER energy (kcal/mol ± SD) | -3259.69 ± 8.55 |
RMS deviations from ideal covalent geometry | |
Bond lengths (Å ± SD) | 0.0096 ± 0.0001 |
Bond angles (° ± SD) | 1.93 ± 0.02 |
Atomic coordinate RMSD (Å ± SD) for residues 140–243 and (140–152, 160–243) | |
Backbone atoms | 0.55 ± 0.18 (0.31 ± 0.05) |
Heavy atoms | 1.07 ± 0.20 (0.80 ± 0.06) |
Ramachandran map regions (%) | |
Residues in most favoured regions | 93.9 |
Additionally allowed regions | 5.9 |
Generously allowed regions | 0.2 |
Disallowed regions | 0.0 |