Assessment of contact predictions in CASP12: Co‐evolution and deep learning coming of age

Following up on the encouraging results of residue‐residue contact prediction in the CASP11 experiment, we present the analysis of predictions submitted for CASP12. The submissions include predictions of 34 groups for 38 domains classified as free modeling targets which are not accessible to homolog...

Full description

Saved in:
Bibliographic Details
Published in:Proteins, structure, function, and bioinformatics Vol. 86; no. S1; pp. 51 - 66
Main Authors: Schaarschmidt, Joerg, Monastyrskyy, Bohdan, Kryshtafovych, Andriy, Bonvin, Alexandre M.J.J.
Format: Journal Article
Language:English
Published: United States Wiley Subscription Services, Inc 01.03.2018
John Wiley and Sons Inc
Subjects:
Accessibility
Algorithms
CASP
Coevolution
Computational Biology - methods
contact prediction
correlated mutations
co‐variation
Crystallography, X-Ray
Databases, Protein
de novo structure prediction
Deep learning
evolutionary coupling
Homology
Humans
Learning algorithms
Machine Learning
Mathematical models
Modelling
Models, Molecular
Protein Conformation
Protein Folding
Protein Interaction Domains and Motifs
Proteins - chemistry
Software
Ultrasonic testing
co-variation
de novo structure prediction
contact prediction
CASP
correlated mutations
evolutionary coupling
ISSN:0887-3585, 1097-0134, 1097-0134
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary:Following up on the encouraging results of residue‐residue contact prediction in the CASP11 experiment, we present the analysis of predictions submitted for CASP12. The submissions include predictions of 34 groups for 38 domains classified as free modeling targets which are not accessible to homology‐based modeling due to a lack of structural templates. CASP11 saw a rise of coevolution‐based methods outperforming other approaches. The improvement of these methods coupled to machine learning and sequence database growth are most likely the main driver for a significant improvement in average precision from 27% in CASP11 to 47% in CASP12. In more than half of the targets, especially those with many homologous sequences accessible, precisions above 90% were achieved with the best predictors reaching a precision of 100% in some cases. We furthermore tested the impact of using these contacts as restraints in ab initio modeling of 14 single‐domain free modeling targets using Rosetta. Adding contacts to the Rosetta calculations resulted in improvements of up to 26% in GDT_TS within the top five structures.
Bibliography:ObjectType-Article-1
SourceType-Scholarly Journals-1
ObjectType-Feature-2
content type line 14
content type line 23
ISSN:0887-3585
1097-0134
1097-0134
DOI:10.1002/prot.25407