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. 2011 Jun 2;6(6):e20549. doi: 10.1371/journal.pone.0020549

Table 1. Experimental restraints and structural statistics for ten lowest-energy NMR structures of apo-meACP out of 100 structures.

NMR distance constraints
 Intra-residue 628
 Sequential 324
 Medium-range (1<|I-j|<5) 702
 Long-range (|I-j|≥5) 654
 Total 2308
NMR dihedral restraints
 Φ 62
 Ψ 63
 Total 125
Structural statistics
Violations per structure (residues Gly937-Arg1013)
 NOE violation (Å) 0.41±0.04
 Angle violation (°) 3.74±0.39
 TALOS >5.0° 0
 Max. dihedral angle violation (°) 4.18
 Max. distance constraint violation (Å) 0.47
Ramachandran plot region (all residues) [%]
 most favoured 76.3
 additionally allowed 19.4
 generously allowed 3.2
 disallowed 1.1
Mean RMS deviation from the average coordinates (residues Gly937-Arg1013) (Å)
 Backbone atoms (Cα, C’, N, O) 0.44±0.12
 All heavy atoms 1.10±0.11