Table 1: Quantitative characterization of the 20 CYANA conformers used to represent the solution structure of rSP-C33Leu after energy minimization with the program OPAL.

From: Efficient protein production inspired by how spiders make silk

QuantityValue
NMR constraints
 Distance constraints
  Total NOE266
  Intra-residue162
  Inter-residue104
  Sequential (|ij|=1)55
  Medium-range (|ij|≤4)49
  Long-range (|ij≥5)
  Intermolecular
  Hydrogen bonds18
 Total dihedral angle restraints
  phi28
  psi28
 
Structure statistics
 Violations*
  Distance constraints (Å) >0.1 Å0.05±0.22 (0,…1)
  Dihedral angle constraints (°) >2.5°0
  Max. dihedral angle violation (°)0.70±0.24 (0.53,…,1.69)
  Max. distance constraint violation (Å)0.09±0 (0.09,…,0.10)
 Deviations from idealized geometry
  M/c bond lengths (Å) >0.05 Å (%)0
  M/c bond angles (°) >10° (%)4.4
  Impropers (°)
 RMSDs* (Å)
  Backbone of residues 5–300.44±0.19 (0.20,…,0.95)
  All heavy atoms of residues 5–300.91±0.14 (0.72,…,1.23)
  1. *Mean±s.d. (range).