Sequence assignment for low-resolution modelling of protein crystal structures.

ABSTRACT: The performance of automated model building in crystal structure determination usually decreases with the resolution of the experimental data, and may result in fragmented models and incorrect side-chain assignment. Presented here are new methods for machine-learning-based docking of main-chain fragments to the sequence and for their sequence-independent connection using a dedicated library of protein fragments. The combined use of these new methods noticeably increases sequence coverage and reduces fragmentation of the protein models automatically built with ARP/wARP.

SUBMITTER: Chojnowski G 

PROVIDER: S-EPMC6677015 | biostudies-literature | 2019 Aug

REPOSITORIES: biostudies-literature