Table 1.
NMR constraints | Values |
---|---|
Distance constraints | 1851 |
Intraresidual | 911 |
Sequential | 483 |
Medium-range | 196 |
Long-range | 215 |
Ambiguously assigned | 46 |
Dihedral angle constraints* | |
φ | 79 |
ψ | 79 |
JHNHα coupling constants | 20 |
Residual dipolar couplings | |
JHN | 66 |
JNC′ | 50 |
JC′Cα | 54 |
RMS deviations for constraints | |
Distance constraints, Å | 0.016 ± 0.002 |
Dihedral angles, degrees | 0.33 ± 0.06 |
JHNHα coupling constants (Hz) | 0.78 ± 0.05 |
RDCs (Hz) | |
JHN | 1.69 ± 0.09 |
JNC′ | 0.34 ± 0.01 |
JC′Cα | 0.95 ± 0.06 |
RMS deviations from covalent geometry | |
Bond lengths, Å | 0.003 ± 0.0002 |
Bond angles, degrees | 0.45 ± 0.014 |
Impropers, degree | 0.31 ± 0.017 |
Ramachandran plot statistics (%)† | eTAFH (267-353), HEB (14-26) |
Residues in most favored regions | 85.0 |
Residues in additionally allowed regions | 12.0 |
Residues in generously allowed regions | 2.1 |
Residues in disallowed regions | 1.3 |
RMS deviations from average structure, Å | eTAFH (270-345), HEB (16-21) |
Backbone atoms | 0.77 ± 0.13 |
Heavy atoms | 1.59 ± 0.16 |
Backbone dihedral angles from TALOS prediction.
Ramachandran plot statistics from PROCHECK-NMR analysis.