Table 1.

NMR and refinement statistics for Ebola fusion loop in DPC micelles

pH 7.0pH 5.5
NMR distance and dihedral restraints
 Distance restraints
  Total NOE665517
  Intraresidue151155
  Interresidue514362
  Sequential (i − j = 1)281216
  Medium-range (i − j ≤ 4)188114
  Long-range (i − j ≥ 5)4532
 Total dihedral angle restraints
  φ810
  ψ510
Structure statistics
 Violations (mean and SD)
  Distance restraints (Å)0.029 ± 0.0010.024 ± 0.001
  Dihedral angle restraints (°)0.28 ± 0.100.20 ± 0.05
  Maximum dihedral angle violation (°)00
  Maximum distance restraint violation (Å)00
 Deviations from idealized geometry
  Bond lengths (Å)0.0037 ± 0.00010.0029 ± 0.0001
  Bond angles (°)0.52 ± 0.010.48 ± 0.11
  Impropers (°)0.35 ± 0.010.29 ± 0.02
  Average pairwise rmsd* (Å)
  Heavy atoms1.45 ± 0.431.06 ± 0.30
  Backbone1.95 ± 0.481.54 ± 0.31
  • *Calculated from the 20 lowest-energy structures out of 200.