preprintbioRxiv (Cold Spring Harbor Laboratory)Feb 9, 2022GREEN OA

Fast and accurate protein structure search with Foldseek

Max Planck Institute for Multidisciplinary Sciences · Seoul National University · +1 more institution

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Abstract

As structure prediction methods are generating millions of publicly available protein structures, searching these databases is becoming a bottleneck. Foldseek aligns the structure of a query protein against a database by describing the amino acid backbone of proteins as sequences over a structural alphabet. Foldseek decreases computation times by four to five orders of magnitude with 86%, 88% and 133% of the sensitivities of DALI, TM-align and CE, respectively.

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