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. 2019 Dec 9;10:5612. doi: 10.1038/s41467-019-13577-5

Table 1.

NMR and refinement statistics for the solution structure of hMYDGF.

NMR constraints and structure statistics hMYDGF
Distance constraints
 Total NOE 3703
 Short-range (|i – j| ≤ 1) 2932
 Medium-range (1 < |i – j| ≤ 5) 151
 Long-range (|i – j| > 5) 620
 Hydrogen bonds 28
Dihedral angle restraints
 Total 239
 ϕ 117
 ψ 122
Structure statisticsa
Violations
 Distance constraints (>0.5 Å) 0
 Dihedral angle constraints (>5°) 0
 Van der Waals (>0.2 Å) 0
Average pairwise RMSDb (Å)
 Heavy 1.30 ± 0.09
 Backbone 0.72 ± 0.07
Xplor-NIH pseudopotential energy (kJ mol−1) 5481
MOLPROBITY mean score/clash score 2.10/11.21
MOLPROBITY Ramachandran plot summaryb (%)
 Favored regions 95.7
 Allowed regions 4.3
 Disallowed regions 0.0

aStructure statistics were calculated using the 20 lowest pseudo-potential energy conformers out of the 100 total calculated conformers. The average pairwise RMSD was calculated against the lowest-energy conformer. bRMSD and Ramachandran statistics were obtained using ordered hMYDGF residues P35-A126 and D133-A168 as defined by CYRANGE