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Table 8 Comparison between model structures and experimental structures for Ppar γ

From: A restraint molecular dynamics and simulated annealing approach for protein homology modeling utilizing mean angles

Structures

Quantitiesa

X-ray target structure

best model structure

backbone RMSD [nm]

0.262

 

heavy atom RMSD [nm]

0.317

 

R-factor

0.260

model structure bundle

backbone RMSD [nm]

0.299

 

heavy atom RMSD [nm]

0.355

 

R-factor

0.231

  1. aBackbone RMSDs include NH, Cα, and C' atoms. Heavy atoms include all atoms except protons. RMSDs are pairwise RMSDs. R-factors are calculated using the R-factor R3 according to [46] including only signals arising from backbone protons.
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BMC Bioinformatics

ISSN: 1471-2105

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