{"doi":"10.1101/2022.07.12.499809","title":"Template-free prediction of a new monotopic membrane protein fold and oligomeric assembly by Alphafold2","abstract":"Abstract AlphaFold2 (AF2) has revolutionized the field of protein structural prediction. Here, we test its ability to predict the tertiary and quaternary structure of a previously undescribed scaffold with new folds and unusual architecture, the monotopic membrane protein caveolin-1 (CAV1). CAV1 assembles into a disc-shaped oligomer composed of 11 symmetrically arranged protomers, each assuming an identical new fold, and contains the largest parallel β-barrel known to exist in nature. Remarkably, AF2 predicts both the fold of the protomers and interfaces between them. It also assembles between 7 and 15 copies of CAV1 into disc-shaped complexes. However, the predicted multimers are energetically strained, especially the parallel β-barrel. These findings highlight the ability of AF2 to correctly predict new protein folds and oligomeric assemblies at a granular level while missing some elements of higher order complexes, thus positing a new direction for the continued development of deep learning protein structure prediction approaches.","journal":"bioRxiv (Cold Spring Harbor Laboratory)","year":2022,"id":301530,"datarank":0.16479184330021646,"base_score":1.0986122886681096,"endowment":1.0986122886681096,"self_citation_contribution":0.16479184330021646,"citation_network_contribution":0.0,"self_endowment_contribution":0.16479184330021646,"citer_contribution":0.0,"corpus_percentile":null,"corpus_rank":null,"citation_count":2,"citer_count":0,"citers_with_citation_signal":0,"citers_with_endowment":0,"datacite_reuse_total":0,"is_dataset":false,"is_dataset_confidence":0.9627,"is_data_producer":false,"deposit_databanks":null,"is_oa":true,"file_count":0,"downloads":0,"has_version_chain":false,"published_date":"2022-01-01","fair_score":null,"fair_percentile":null,"algorithm_id":"datarank_citation_only_1hop_v6","ranking_scope":"data_only","authors":[{"id":467085,"name":"Bing Han","orcid":"0000-0001-6952-7482","position":1,"is_corresponding":false},{"id":467086,"name":"Jason C. Porta","orcid":"0000-0002-5457-5526","position":2,"is_corresponding":false},{"id":298192,"name":"Hassane S. Mchaourab","orcid":"0000-0002-5673-0980","position":3,"is_corresponding":false},{"id":36757,"name":"Jens Meiler","orcid":"0000-0001-8945-193X","position":4,"is_corresponding":false},{"id":298135,"name":"Anne K. Kenworthy","orcid":"0000-0001-6567-9059","position":5,"is_corresponding":false},{"id":426774,"name":"Alican Gulsevin","orcid":"0000-0002-8724-5777","position":0,"is_corresponding":true}],"reference_count":28,"raw_metadata":{"citation_network_status":"fetched"},"created_at":"2026-07-19T00:32:02.193874Z","pmid":null,"pmcid":null,"fwci":null,"citation_percentile":null,"influential_citations":0,"oa_status":null,"license":null,"views":0,"total_file_size_bytes":0,"version_count":0,"fair_f":null,"fair_a":null,"fair_i":null,"fair_r":null,"fair_zscore":null,"fair_rationale":null,"fair_model":null,"fair_agent_version":null,"fair_fulltext_source":null,"fair_has_llm":null,"fair_computed_at":null,"clinical_trials":[],"software_tools":[],"db_accessions":[],"linked_datasets":[],"topics":[]}