Clustering predicted structures at the scale of the known protein universe.

ABSTRACT: Proteins are key to all cellular processes and their structure is important in understanding their function and evolution. Sequence-based predictions of protein structures have increased in accuracy¹, and over 214 million predicted structures are available in the AlphaFold database². However, studying protein structures at this scale requires highly efficient methods. Here, we developed a structural-alignment-based clustering algorithm-Foldseek cluster-that can cluster hundreds of millions of structures. Using this method, we have clustered all of the structures in the AlphaFold database, identifying 2.30 million non-singleton structural clusters, of which 31% lack annotations representing probable previously undescribed structures. Clusters without annotation tend to

SUBMITTER: Barrio-Hernandez I 

PROVIDER: S-EPMC10584675 | biostudies-literature | 2023 Oct

REPOSITORIES: biostudies-literature