Dihedral-angle information entropy as a gauge of secondary structure propensity.

ABSTRACT: Protein structural information can be uncovered using an information-theory-based entropy and auxiliary functions by taking advantage of high-quality correlation plots between the dihedral angles around a residue and those between sequential residues. A standard information entropy for a primary sequence has been defined using the values of the probabilities of the most likely dihedral angles along the sequence. The distribution of entropy differences relative to the standard for each protein in a reference set--a sublibrary of the Protein Data Bank at the 90% sequence redundancy level--appears to be nearly Gaussian. It gives rise to an auxiliary checking function whose value signals the extent to which the dihedral angle propensities differ from typical structures. Such deviations can ari

SUBMITTER: Zhong S 

PROVIDER: S-EPMC1635691 | biostudies-literature | 2006 Dec

REPOSITORIES: biostudies-literature