Table 1.
NOE distance restraints | |
Intra-residue | 396 |
Sequential | 461 |
Medium range (i, i±2–4) | 424 |
Long range (i, i>4) | 635 |
Total | 1916 |
HBDA (Hydrogen Bond Restraints) | 32 |
Dihedral Restraints | 115 |
RDC Restraints | 37 |
Ensemble RMSD | |
Secondary Structure Backbone | 0.68 |
Secondary Structure Heavy | 1.49 |
Violations | |
NOE | 2.5 +/− 1.1 |
RDC | 0 |
Dihedral | 0.67 +/− 0.65 |
RMS experimental | |
NOE | 0.047 +/− 0.005 |
Dihedral | 0.87 +/− 0.17 |
HBDA | 0.022 +/0 0.004 |
RDC | 0.1 Hz +/− 0.02 |
(R-Factor) | 0.1% +/− 0.05 |
RMS covalent geometry | |
Bonds | 0.0049 +/− 0.00029 |
Angles | 0.52 +/− 0.023 |
Impropers | 0.43 +/− 0.028 |
Ramachandran Space(a) | |
Most Favored Region | 69.1% |
Additionally Allowed Region | 19.8% |
Generously Allowed Region | 8.6% |
Disallowed Region | 2.5% |