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. 2014 Feb 13;10(2):e1003907. doi: 10.1371/journal.ppat.1003907

Table 1. NMR calculation statistics for an ensemble of the 20 lowest energy structures of ALYREF fragment (ALYREF54–155) bound to ORF57103–120 (PDB code 2YKA).

Total number of NMR restraints 2629
Number of NOE restraints 2427
 Intra-residue 534
 Sequential 651
 Medium range (2≤i≤4) 448
 Long range intramolecular (5≤i) 794
 Intermolecular 122
Dihedral 164
Hydrogen bonds 38
Mean number of NOE violations >0.1 Å 0.0108±0.0010
Mean number of dihedral violations >5° 0.3144±0.0375
Mean Cyana target function, Å2 1.58±0.18
Coordinate precision, Å
RMSD (ALYREF74–152+ORF57106–120)
 Backbone 0.26±0.07
 Heavy atom 0.81±0.08
RMSD (ALYREF74–152)
 Backbone 0.21±0.05
 Heavy atom 0.73±0.06
RMSD (ORF57106–120)
 Backbone 0.29±0.13
 Heavy atom 1.01±0.19
Ramachandran plot (ALYREF74–152+ORF57106–120), % residues in regions:
Favored 79.8
Additional 20.2
Generous 0.0
Disallowed 0.0