Table 1.

Statistics for 10 low-energy Ixolaris models

Number of NMR distance restraints 38 
 Restraints eliminated because of distance violations*  
  Between 1 and 2 Å/structure 0.4 ± 0.4 
  Above 5.0 Å/structure 0.0 ± 0.0 
Number of disulfide restraints 
Ramachandran statistics  
 % of residues in favored regions 91.9 
 % of residues in allowed regions 99.9 
 Outliers 
Average RMSD to mean structure (Å)§  
 Backbone atoms 1.39 ± 0.58 
 Heavy atoms 1.53 ± 0.63 
Number of NMR distance restraints 38 
 Restraints eliminated because of distance violations*  
  Between 1 and 2 Å/structure 0.4 ± 0.4 
  Above 5.0 Å/structure 0.0 ± 0.0 
Number of disulfide restraints 
Ramachandran statistics  
 % of residues in favored regions 91.9 
 % of residues in allowed regions 99.9 
 Outliers 
Average RMSD to mean structure (Å)§  
 Backbone atoms 1.39 ± 0.58 
 Heavy atoms 1.53 ± 0.63 
*

Violations were calculated using 5 Å universal upper bound distance for structurally degenerate and unambiguous NOE restraints

One NOE has violated in 4 structures.

Disulfide restraints were used between the pairs of residues: 18-68, 26-51, 43-64, 76-126, and 101-122.

Ramachandran statistics were calculated using MOLPROBITY over the low-energy models.

§

Computed over 10 low-energy structures for core residues 2-7, 20-25, 29-35, 49-58, 76-83, 87-94, 107-115.

Close Modal

or Create an Account

Close Modal
Close Modal