DisCovER: distance- and orientation-based covariational threading for weakly homologous proteins.

ABSTRACT: Threading a query protein sequence onto a library of weakly homologous structural templates remains challenging, even when sequence-based predicted contact or distance information is used. Contact-assisted or distance-assisted threading methods utilize only the spatial proximity of the interacting residue pairs for template selection and alignment, ignoring their orientation. Moreover, existing threading methods fail to consider the neighborhood effect induced by the query-template alignment. We present a new distance- and orientation-based covariational threading method called DisCovER by effectively integrating information from inter-residue distance and orientation along with the topological network neighborhood of a query-template alignment. Our method first selects a subset of templat

SUBMITTER: Bhattacharya S 

PROVIDER: S-EPMC8738102 | biostudies-literature | 2022 Feb

REPOSITORIES: biostudies-literature