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. 2025 Nov 4;53(20):gkaf1121. doi: 10.1093/nar/gkaf1121

Table 1.

Structural statistics for free-state Sox231–127

A. Restraint information
Total number of distance restraints 1577
Intra-residual/sequential/medium/long 454/423/455/245
Total number of RDC restraints 43
  97/42/16/0
Total number of backbone dihedral angle restraints f/yq 57/60
B. Average deviation from experimental restraints
RMS experimental distance restraints (Å) 0.0090 ± 0.0010
Average number of distance violations > 0.5 Å 0
RMS experimental dihedral angle restraints (°) 0.249 ± 0.055
Average number of dihedral angle violations > 5° 0
RMS experimental RDC restraints (Hz) 0.79 ± 0.02
RDC Q-factor 8.07 ± 0.21
C. Coordinate RMS deviation (Å)  
Average overall RMSD to mean structure  a  
Ordered heavy backbone atoms 0.46 ± 0.19
Ordered all heavy atoms 0.86 ± 0.13
Global backbone atoms 9.58 ± 3.81
  1.64
Global all heavy atoms 9.84 ± 3.71
  2.25
D. Ramachandran plot quality parameters (%)  a  
Residues in most favored regions (ordered/global) 97.8 / 77.0
  83.0 /± 4.5
Residues in allowed regions (ordered/global) 2.2 / 19.0
  13.5 ± 4.0
Residues in additionally allowed regions (ordered/global) 0.0 / 2.6
  2.3 ± 2.1
Residues in disallowed regions (ordered/global) 0.0 / 1.4
  1.1 ± 1.1
E. Abnormalities found in structural checks  
Abnormally short interatomic distances /1000 atoms 4.24
  10 ± 2
a

Statistics are given for residues 31–127. Ordered regions are residues 45–103.