Building native protein conformation from highly approximate backbone torsion angles.

ABSTRACT: Reconstructing a protein in three dimensions from its backbone torsion angles is an ongoing challenge because minor inaccuracies in these angles produce major errors in the structure. As a familiar example, a small change in an elbow angle causes a large displacement at the end of your arm, the longer the arm, the larger the displacement. Even accurate knowledge of the backbone torsions and Psi is insufficient, owing to the small, but cumulative, deviations from ideality in backbone planarity, which, if ignored, also lead to major errors in the structure. Against this background, we conducted a computational experiment to assess whether protein conformation can be determined from highly approximate backbone torsion angles, the kind of information that is now obtained readily from NMR. Spec

SUBMITTER: Gong H 

PROVIDER: S-EPMC1283474 | biostudies-literature | 2005 Nov

REPOSITORIES: biostudies-literature