Table 1.

Structural statistics of the VWF C4 domain NMR ensemble

Experimental restraints  
 Total NOEs 2478 (assigned 2255) 
 Distance restraints 1158 
  Short range (|i − j| ≤ 1) 650 
  Medium range (|i − j| < 5) 85 
  Long range (|i − j| > 5) 423 
 Dihedral restraints (φ/ψ) 144 
Structural quality  
Coordinate precision (Å, residues 2496-2503, 2513-2548)  
  Backbone (N, Cα, C′) 0.46 ± 0.16 
  Heavy atoms 0.77 ± 0.13 
Coordinate precision (Å, residues 2562-2577)  
  Backbone (N, Cα, C′) 0.39 ± 0.15 
  Heavy atoms 1.10 ± 0.20 
Restraint RMSD  
  Distance restraints, Å 0.018 ± 0.001 
  Dihedral restraints, ° 1.45 ± 0.24 
Deviation from idealized geometry  
  Bond lengths, Å 0.004 ± 0.0002 
  Bond angles, ° 0.52 ± 0.02 
Ramachandran analysis, %  
 Favored regions 84.7 
 Allowed regions 14.0 
 Generously allowed 0.0 
 Disallowed 1.3 
Whatcheck analysis  
 First-generation packing −3.061 
 Second-generation packing −3.531 
 Ramachandran plot appearance −3.266 
 χ−1−2 rotamer normality −2.452 
 Backbone conformation −0.861 
Experimental restraints  
 Total NOEs 2478 (assigned 2255) 
 Distance restraints 1158 
  Short range (|i − j| ≤ 1) 650 
  Medium range (|i − j| < 5) 85 
  Long range (|i − j| > 5) 423 
 Dihedral restraints (φ/ψ) 144 
Structural quality  
Coordinate precision (Å, residues 2496-2503, 2513-2548)  
  Backbone (N, Cα, C′) 0.46 ± 0.16 
  Heavy atoms 0.77 ± 0.13 
Coordinate precision (Å, residues 2562-2577)  
  Backbone (N, Cα, C′) 0.39 ± 0.15 
  Heavy atoms 1.10 ± 0.20 
Restraint RMSD  
  Distance restraints, Å 0.018 ± 0.001 
  Dihedral restraints, ° 1.45 ± 0.24 
Deviation from idealized geometry  
  Bond lengths, Å 0.004 ± 0.0002 
  Bond angles, ° 0.52 ± 0.02 
Ramachandran analysis, %  
 Favored regions 84.7 
 Allowed regions 14.0 
 Generously allowed 0.0 
 Disallowed 1.3 
Whatcheck analysis  
 First-generation packing −3.061 
 Second-generation packing −3.531 
 Ramachandran plot appearance −3.266 
 χ−1−2 rotamer normality −2.452 
 Backbone conformation −0.861 
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