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. 2016 Jun 27;7:12071. doi: 10.1038/ncomms12071

Table 1. Structural statistics for the ensemble of 20 NMR structures of MapZextra1 (PDB code 2ND9) and MapZextra2 (PDB code 2NDA).

  MapZextra1 MapZextra2
NMR distance and dihedral constraints
Distance constraints
  Total unambiguous NOE restraints 3,400 2,520
   Intra-residue 1,033 903
   Inter-residue 2,367 1,617
    Sequential (|ij|=1) 668 468
    Medium range (|ij|≤5) 858 491
    Long range (|ij|>5) 841 658
    Intermolecular 0 0
  Total ambiguous NOE restraints 832 647
  Hydrogen bonds 0 0
 Total dihedral angle restraints 202 160
  Phi 101 80
  Psi 101 80
     
Structure statisticsa
Violations (mean and s.d.)
  Distance constraints (Å) 0.0759±0.0053 0.0496±0.0009
  Dihedral angle constraints (°) 2.74±0.0260 3.30±0.0394
  Maximum dihedral angle violation (°) 4.199 25.761
  Maximum distance constraint violation (Å) 2.17 0.613
Deviations from idealized geometry
  Bond lengths (Å) 0.0118±0.0001 0.0074±0.0001
  Bond angles (°) 1.0142±0.0106 0.7572±0.0094
  Impropers (°) 2.1571±0.0481 1.8049±0.038
Average pairwise r.m.s.d.b (Å)
  Heavy 0.46±0.06 0.40±0.05
  Backbone 0.13±0.04 0.14±0.03

NOE, nuclear Overhauser effect; r.m.s.d., root mean squared deviation.

aPairwise deviations were calculated among 20 refined structures.

bThese values were calculated on residues 199–312 for MapZextra1 and 362–453 for MapZextra2.