Structure validation by Cα geometry: ϕ,ψ and Cβ deviation
University of Cambridge · Duke University · +2 more institutions
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Abstract
Geometrical validation around the Calpha is described, with a new Cbeta measure and updated Ramachandran plot. Deviation of the observed Cbeta atom from ideal position provides a single measure encapsulating the major structure-validation information contained in bond angle distortions. Cbeta deviation is sensitive to incompatibilities between sidechain and backbone caused by misfit conformations or inappropriate refinement restraints. A new phi,psi plot using density-dependent smoothing for 81,234 non-Gly, non-Pro, and non-prePro residues with B
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Keywords
- Ramachandran plot
- Measure (data warehouse)
- Plot (graphics)
- Position (finance)
- Crystallography
- Turn (biochemistry)
- Smoothing
- Molecular geometry
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