Table S1.
NOE distance restraints | |
Total NOE distance restraints | 2,325 |
Intraresidue, |i = j| | 478 |
Sequential, |i − j| = 1 | 651 |
Medium range, 1 < |i − j| < 5 | 463 |
Long range, |i − j| ≥ 5 | 733 |
Number of restraints per residue | 21.9 |
Number of long-range restraints per residue | 6.9 |
rms deviation of 20 structures | |
rmsd all backbone atoms, Å | 2.7 |
rmsd all heavy atoms, Å | 3.1 |
rmsd ordered backbone atoms, Å* | 0.2 |
rmsd ordered heavy atoms, Å* | 0.6 |
Close contacts and deviations from ideal geometry | |
Number of close contacts† | 0 |
rms deviation for bond angles | 1.9° |
rms deviation for bond lengths, Å | 0.014 |
Ramachandran plot summary from Procheck | |
Most favored regions | 85.6% |
Additionally allowed regions | 13.1% |
Generously allowed regions | 0.2% |
Disallowed regions | 1.2% |
Ramachandran plot statistics from Richardson's laboratory Molprobity | |
Most favored regions | 91.3% |
Allowed regions | 7.6% |
Disallowed regions | 1.1% |
Global quality scores | |
Verify3D | |
Mean score/SD | 0.28/0.0203 |
Z-score | −2.89 |
ProsaII | |
Mean score/SD | 0.32/0.0295 |
Z-score | −1.36 |
Procheck (φ-ψ) | |
Mean score/SD | −0.34 |
Z-score | −1.02 |
Procheck (all) | |
Mean score/SD | −0.42 |
Z-score | −2.48 |
MolProbity clash score | |
Mean score/SD | 1.92/0.4226 |
Z-score | 1.20 |
BMRB accession number | 25927 |
PDB ID code | 2NA4 |
Ordered residue ranges: 6–98.
Within 1.6 Å for H atoms, 2.2 Å for heavy atoms.