Skip to main content
. Author manuscript; available in PMC: 2014 Dec 3.
Published in final edited form as: Structure. 2013 Oct 31;21(12):2221–2227. doi: 10.1016/j.str.2013.09.017

Table 1.

A tabular summary of the NMR structures for γS-WT and γS-G18V structures, calculated using full restraint sets as described in the Methods section. See also Figures S1–S4 and Supplementary Tables 1 and 2.

Restraint Summary γS-WT γS-G18V
Total NOE restraints: 7444 4682
 intraresidue: 1547 1329
 interresidue:
  sequential (|i − j| = 1): 1559 972
  medium-range (|i − j| ≤ 5): 1286 709
  long-range (|i − j| ≥ 6): 3052 1672
Total angular restraints: 408 450
 RDCs: 156 147
 dihedral (3J coupling): -- 57
 dihedral (TALOS+): 252 246
H-bond restraints: 46 90
Structure statistics (20 lowest-energy structures)
Restraint violations
NOE > 0.3 Å 0.6 ± 0.8 0.7 ± 1.1
dihedral > 5° 1.1 ± 1.3 1.6± 0.9
RMSD from ideal covalent geometry
bonds (Å) 0.005 ± 0.000 0.004 ± 0.000
angles (°) 0.582 ± 0.011 0.537 ± 0.016
impropers (°) 0.503 ± 0.013 0.481 ± 0.016
Restraint RMSD
NOE (Å) 0.034 ± 0.025 0.024 ± 0.002
dihedral (°) 0.914 ± 0.137 0.893 ± 0.114
RDC (Hz) 0.238 ± 0.021 0.188 ± 0.018
Average pairwise RMSD (residues 5–178)
backbone RMSD (Å) 0.4 0.5
heavy atom RMSD (Å) 0.8 0.9
RDC Statistics
R-factor (%) 0.642 ± 0.055 0.459 ± 0.046
R-factor (free) (%) 0.817 ± 0.073 0.556 ± 0.052