Table I.
Parameter | Ensemble | |
---|---|---|
Distance restraints | Bound a | DPCb |
All | 207 | 246 |
Short range (|i-j|<=1) | 185 | 162 |
Medium-range (1<|i-j|<5) | 22 | 74 |
Long-range (|i-j|>=5) | 0 | 10 |
Average CYANA target function value | 0.16 | 0.15 |
Violations | ||
NOE (> 0.2 Å) | 0 | 0 |
RMSDc | ||
Average backbone RMSD to mean | 1.48 Å | 0.64 Å |
Average heavy atom RMSD to mean | 1.96 Å | 0.96 Å |
RMS Z score | ||
Bond length | 1.065+/- 0.000 | 1.065+/- 0.000 |
Bond angles | 0.175+/- 0.001 | 0.174+/- 0.001 |
Omega angle restraints | 0.019+/- 0.005 | 0.017+/- 0.007 |
Side chain planarity | 0.029+/- 0.007 | 0.028+/- 0.006 |
Improper dihedral distribution | 0.304+/- 0.002 | 0.304+/- 0.001 |
Ramchandran statisticsd | ||
Residues in most favored regions | 64.0% | 62.9% |
Residues in additional allowed regions | 35.4% | 37.1% |
Residues in generously allowed regions | 0.6% | 0% |
Residues in disallowed regions | 0% | 0% |
20 mM Sodium phosphate buffer, 22 °C
20 mM Sodium phosphate buffer, 40 °C, 75mM DPC (1:1.4 peptide:micelles molar ratio)
Residues -11 to -1
All residues