Evidence map›Paper›PMID 36648327›Full record

ArticleBioinformatics (Oxford, England)2023

CATHe: detection of remote homologues for CATH superfamilies using embeddings from protein language models.

Vamsi Nallapareddy, Nicola Bordin, Ian Sillitoe, Michael Heinzinger, Maria Littmann, Vaishali P Waman, Neeladri Sen, Burkhard Rost, Christine Orengo

Abstract read
In one paragraph

Article in Bioinformatics (Oxford, England), 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 23 papers, 1 of them a synthesis that pooled it.

0numbers the graph read from it
0cells of the map it votes in
23citing papers in PubMed, 1 pooled it
–field-weighted citation impact
1 · What the graph read from it

What it found

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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

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3 · Its place in the literature

Who cites it

23 citing papers in PubMed, 1 synthesis or guideline pooled it.

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  13. Artificial Intelligence Learns Protein Prediction.Cold Spring Harbor perspectives in biology · 2024
    Review
  14. Clustering protein functional families at large scale with hierarchical approaches.Protein science : a publication of the Protein Society · 2024
    Article
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4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

9 authors.

Vamsi NallapareddyInstitute of Structural and Molecular Biology, University College London, London WC1E 6BT, UK.ORCID 0000-0003-4750-038X
Nicola BordinInstitute of Structural and Molecular Biology, University College London, London WC1E 6BT, UK.ORCID 0000-0002-6568-9035
Ian SillitoeInstitute of Structural and Molecular Biology, University College London, London WC1E 6BT, UK.ORCID 0000-0003-1091-9144
Michael HeinzingerDepartment of Informatics, Bioinformatics and Computational Biology-i12, Technical University of Munich (TUM), Garching/Munich 85748, Germany.ORCID 0000-0002-9601-3580
Maria LittmannDepartment of Informatics, Bioinformatics and Computational Biology-i12, Technical University of Munich (TUM), Garching/Munich 85748, Germany.ORCID 0000-0001-8533-8163
Vaishali P WamanInstitute of Structural and Molecular Biology, University College London, London WC1E 6BT, UK.
Neeladri SenInstitute of Structural and Molecular Biology, University College London, London WC1E 6BT, UK.ORCID 0000-0002-3324-5755
Burkhard RostDepartment of Informatics, Bioinformatics and Computational Biology-i12, Technical University of Munich (TUM), Garching/Munich 85748, Germany.
Christine OrengoInstitute of Structural and Molecular Biology, University College London, London WC1E 6BT, UK.

Funding

Bavarian Ministry of EducationBBSRC BB/V014722/1Biotechnology and Biological Sciences Research Council BB/R009597/1Biotechnology and Biological Sciences Research Council BB/R014892/1Biotechnology and Biological Sciences Research Council BB/S020039/1Biotechnology and Biological Sciences Research Council BB/S020144/1Deutsche Forschungsgemeinschaft DFG-GZGerman Ministry for Research and EducationSoftware Campus 2.0 01IS17049
6 · The paper itself

Abstract

motivationCATH is a protein domain classification resource that exploits an automated workflow of structure and sequence comparison alongside expert manual curation to construct a hierarchical classification of evolutionary and structural relationships. The aim of this study was to develop algorithms for detecting remote homologues missed by state-of-the-art hidden Markov model (HMM)-based approaches. The method developed (CATHe) combines a neural network with sequence representations obtained from protein language models. It was assessed using a dataset of remote homologues having less than 20% sequence identity to any domain in the training set.

resultsThe CATHe models trained on 1773 largest and 50 largest CATH superfamilies had an accuracy of 85.6 ± 0.4% and 98.2 ± 0.3%, respectively. As a further test of the power of CATHe to detect more remote homologues missed by HMMs derived from CATH domains, we used a dataset consisting of protein domains that had annotations in Pfam, but not in CATH. By using highly reliable CATHe predictions (expected error rate <0.5%), we were able to provide CATH annotations for 4.62 million Pfam domains. For a subset of these domains from Homo sapiens, we structurally validated 90.86% of the predictions by comparing their corresponding AlphaFold2 structures with structures from the CATH superfamilies to which they were assigned. AVAILABILITY AND IMPLEMENTATION: The code for the developed models is available on https://github.com/vam-sin/CATHe, and the datasets developed in this study can be accessed on https://zenodo.org/record/6327572. SUPPLEMENTARY INFORMATION: Supplementary data are available at Bioinformatics online.

Indexed as

AlgorithmsProteinsDatabases, ProteinHumansSequence Homology, Amino AcidProteins

Identifiers

PMID36648327
PMCPMC9887088

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LicenceCC BY
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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.