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The reconstruction of a protein backbone from Cα coordinates

✍ Scribed by Kaiwan Gan; Peter Alexander; James M. Coxon; A. John McKinnon; Gillian H. Worth

Publisher
Wiley (John Wiley & Sons)
Year
1997
Tongue
English
Weight
87 KB
Volume
41
Category
Article
ISSN
0006-3525

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✦ Synopsis

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 coordinates for a protein data base. The averaged coordinates from ten backbone models of a protein were used to define a mean structure that was refined by energy minimization using the AMBER force field (GB/SA). By the latter method the average atomic deviation and rmsd of the backbone and C b atoms for 24 proteins is between 0.14 and 0.32 A (average 0.22 A ˚) and 0.22 and 0.61 A ˚(average 0.43 A ˚), respectively. A comparison with other methods is made.

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