Evaluation of model refinement in CASP14.
CASP
function prediction
refinement
structure prediction
Journal
Proteins
ISSN: 1097-0134
Titre abrégé: Proteins
Pays: United States
ID NLM: 8700181
Informations de publication
Date de publication:
12 2021
12 2021
Historique:
revised:
19
06
2021
received:
30
04
2021
accepted:
11
07
2021
pubmed:
22
7
2021
medline:
26
2
2022
entrez:
21
7
2021
Statut:
ppublish
Résumé
We report here an assessment of the model refinement category of the 14th round of Critical Assessment of Structure Prediction (CASP14). As before, predictors submitted up to five ranked refinements, along with associated residue-level error estimates, for targets that had a wide range of starting quality. The ability of groups to accurately rank their submissions and to predict coordinate error varied widely. Overall, only four groups out-performed a "naïve predictor" corresponding to the resubmission of the starting model. Among the top groups, there are interesting differences of approach and in the spread of improvements seen: some methods are more conservative, others more adventurous. Some targets were "double-barreled" for which predictors were offered a high-quality AlphaFold 2 (AF2)-derived prediction alongside another of lower quality. The AF2-derived models were largely unimprovable, many of their apparent errors being found to reside at domain and, especially, crystal lattice contacts. Refinement is shown to have a mixed impact overall on structure-based function annotation methods to predict nucleic acid binding, spot catalytic sites, and dock protein structures.
Identifiants
pubmed: 34288138
doi: 10.1002/prot.26185
pmc: PMC8616799
mid: NIHMS1726169
doi:
Substances chimiques
Proteins
0
Types de publication
Journal Article
Research Support, N.I.H., Extramural
Research Support, Non-U.S. Gov't
Langues
eng
Sous-ensembles de citation
IM
Pagination
1852-1869Subventions
Organisme : NIGMS NIH HHS
ID : R01 GM100482
Pays : United States
Organisme : Biotechnology and Biological Sciences Research Council
ID : BB/S007105/1
Pays : United Kingdom
Informations de copyright
© 2021 The Authors. Proteins: Structure, Function, and Bioinformatics published by Wiley Periodicals LLC.
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