Small angle X-ray scattering-assisted protein structure prediction in CASP13 and emergence of solution structure differences.

ABSTRACT: Small angle X-ray scattering (SAXS) measures comprehensive distance information on a protein's structure, which can constrain and guide computational structure prediction algorithms. Here, we evaluate structure predictions of 11 monomeric and oligomeric proteins for which SAXS data were collected and provided to predictors in the 13th round of the Critical Assessment of protein Structure Prediction (CASP13). The category for SAXS-assisted predictions made gains in certain areas for CASP13 compared to CASP12. Improvements included higher quality data with size exclusion chromatography-SAXS (SEC-SAXS) and better selection of targets and communication of results by CASP organizers. In several cases, we can track improvements in model accuracy with use of SAXS data. For hard multimeric targets

SUBMITTER: Hura GL 

PROVIDER: S-EPMC6851496 | biostudies-literature | 2019 Dec

REPOSITORIES: biostudies-literature