RrQNet: Protein contact map quality estimation by deep evolutionary reconciliation.

ABSTRACT: Protein contact maps have proven to be a valuable tool in the deep learning revolution of protein structure prediction, ushering in the recent breakthrough by AlphaFold2. However, self-assessment of the quality of predicted structures are typically performed at the granularity of three-dimensional coordinates as opposed to directly exploiting the rotation- and translation-invariant two-dimensional (2D) contact maps. Here, we present rrQNet, a deep learning method for self-assessment in 2D by contact map quality estimation. Our approach is based on the intuition that for a contact map to be of high quality, the residue pairs predicted to be in contact should be mutually consistent with the evolutionary context of the protein. The deep neural network architecture of rrQNet implements this in

SUBMITTER: Roche R 

PROVIDER: S-EPMC9633355 | biostudies-literature | 2022 Dec

REPOSITORIES: biostudies-literature