A Monte Carlo Protein Building method to construct the backbone and C b atomic coordinates from known C a coordinates is reported. The method selects values of dihedral angles from ranges established from a statistical analysis of the relationship between dihedral angles of the backbone and C a coor
Validation of protein models from Cα coordinates alone
✍ Scribed by Gerard J Kleywegt
- Book ID
- 115628162
- Publisher
- Elsevier Science
- Year
- 1997
- Tongue
- English
- Weight
- 320 KB
- Volume
- 273
- Category
- Article
- ISSN
- 0022-2836
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A model of nine proteins including side-chain atoms have been built from the known C a coordinates and amino acid sequences using a Monte Carlo Protein Building Annealing method. The Cartesian coordinates for the side-chain atoms were established with bond lengths and angles selected randomly from w
## Abstract Protein C~__α__~ coordinates are used to accurately reconstruct complete protein backbones and side‐chain directions. This work employs potentials of mean force to align semirigid peptide groups around the axes that connect successive C~__α__~ atoms. The algorithm works well for all res
A multiple regression analysis has established a nonlinear relationship between the backbone dihedral angles and the C a coordinates obtained from the x-ray crystal structures of 14 proteins. The regression equations have been applied to predict specific dihedral angles of each residue in the backbo