Gaia: automated quality assessment of protein structure models.

ABSTRACT:

Motivation

Increasing use of structural modeling for understanding structure-function relationships in proteins has led to the need to ensure that the protein models being used are of acceptable quality. Quality of a given protein structure can be assessed by comparing various intrinsic structural properties of the protein to those observed in high-resolution protein structures.

Results

In this study, we present tools to compare a given structure to high-resolution crystal structures. We assess packing by calculating the total void volume, the percentage of unsatisfied hydrogen bonds, the number of steric clashes and the scaling of the accessible surface area. We assess covalent geometry by determining bond lengths, angles, dihedrals and rotamers. The statistical parameters

SUBMITTER: Kota P 

PROVIDER: S-EPMC3150034 | biostudies-literature | 2011 Aug

REPOSITORIES: biostudies-literature