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. 2000 Jun 6;97(12):6316–6321. doi: 10.1073/pnas.97.12.6316

Table 2.

NMR restraints and statistics for the ensemble of 20 structures calculated for mtRPB10

Summary of restraints
 NOEs*
  Intraresidue   487 (374)
  Sequential   211 (146)
  Medium-range (1 < |i − j| < 5)  168 (81)
  Long-range (|i − j| ≥ 5)  200 (89)
  All 1,066 (690)
 Dihedral angles
  φ 26
  ψ 26
  χ1 15
 Hydrogen bonds 11 × 2
 Zinc coordination 10
Deviation from restraints
 NOE restraints, Å   0.019  ±  0.003
 Dihedral restraints, °   0.3    ±  0.2
Deviation from idealized geometry
 Van der Waals, Å 11 ±  3
 Bonds, Å 0.0020 ±  0.0001
 Angles, °   0.38   ±  0.02
 Improper angles, °  13 ±  2
Mean energies, kcal⋅mol−1
Evdw  11      ±  3
Ebonds   3.9    ±  0.7
Eangle  37 ±  4
ENOE  16   ±  4
Edih   0.6    ±  0.6
ELennard-Jones −141 ± 10
Eelec −191   ±  9
rmsd from average structure, Å
All residues
Helical regions
All heavy atoms 1.33 0.71
Backbone (C′, Cα, N) 0.93 0.19
*

Number of aria total restraints (unambiguous and ambiguous), with number of unambiguous restraints in parenthesis. 

Calculated by using the CHARMM energy function.