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PAE viewer: a webserver for the interactive visualization of the predicted aligned error for multimer structure predictions and crosslinks

The development of AlphaFold for protein structure prediction has opened a new era in structural biology. This is even more the case for AlphaFold-Multimer for the prediction of protein complexes. The interpretation of these predictions has become more important than ever, but it is difficult for th...

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Autores principales: Elfmann, Christoph, Stülke, Jörg
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Oxford University Press 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10320053/
https://www.ncbi.nlm.nih.gov/pubmed/37140053
http://dx.doi.org/10.1093/nar/gkad350
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author Elfmann, Christoph
Stülke, Jörg
author_facet Elfmann, Christoph
Stülke, Jörg
author_sort Elfmann, Christoph
collection PubMed
description The development of AlphaFold for protein structure prediction has opened a new era in structural biology. This is even more the case for AlphaFold-Multimer for the prediction of protein complexes. The interpretation of these predictions has become more important than ever, but it is difficult for the non-specialist. While an evaluation of the prediction quality is provided for monomeric protein predictions by the AlphaFold Protein Structure Database, such a tool is missing for predicted complex structures. Here, we present the PAE Viewer webserver (http://www.subtiwiki.uni-goettingen.de/v4/paeViewerDemo), an online tool for the integrated visualization of predicted protein complexes using a 3D structure display combined with an interactive representation of the Predicted Aligned Error (PAE). This metric allows an estimation of the quality of the prediction. Importantly, our webserver also allows the integration of experimental cross-linking data which helps to interpret the reliability of the structure predictions. With the PAE Viewer, the user obtains a unique online tool which for the first time allows the intuitive evaluation of the PAE for protein complex structure predictions with integrated crosslinks.
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spelling pubmed-103200532023-07-06 PAE viewer: a webserver for the interactive visualization of the predicted aligned error for multimer structure predictions and crosslinks Elfmann, Christoph Stülke, Jörg Nucleic Acids Res Web Server Issue The development of AlphaFold for protein structure prediction has opened a new era in structural biology. This is even more the case for AlphaFold-Multimer for the prediction of protein complexes. The interpretation of these predictions has become more important than ever, but it is difficult for the non-specialist. While an evaluation of the prediction quality is provided for monomeric protein predictions by the AlphaFold Protein Structure Database, such a tool is missing for predicted complex structures. Here, we present the PAE Viewer webserver (http://www.subtiwiki.uni-goettingen.de/v4/paeViewerDemo), an online tool for the integrated visualization of predicted protein complexes using a 3D structure display combined with an interactive representation of the Predicted Aligned Error (PAE). This metric allows an estimation of the quality of the prediction. Importantly, our webserver also allows the integration of experimental cross-linking data which helps to interpret the reliability of the structure predictions. With the PAE Viewer, the user obtains a unique online tool which for the first time allows the intuitive evaluation of the PAE for protein complex structure predictions with integrated crosslinks. Oxford University Press 2023-05-04 /pmc/articles/PMC10320053/ /pubmed/37140053 http://dx.doi.org/10.1093/nar/gkad350 Text en © The Author(s) 2023. Published by Oxford University Press on behalf of Nucleic Acids Research. https://creativecommons.org/licenses/by-nc/4.0/This is an Open Access article distributed under the terms of the Creative Commons Attribution-NonCommercial License (https://creativecommons.org/licenses/by-nc/4.0/), which permits non-commercial re-use, distribution, and reproduction in any medium, provided the original work is properly cited. For commercial re-use, please contact journals.permissions@oup.com
spellingShingle Web Server Issue
Elfmann, Christoph
Stülke, Jörg
PAE viewer: a webserver for the interactive visualization of the predicted aligned error for multimer structure predictions and crosslinks
title PAE viewer: a webserver for the interactive visualization of the predicted aligned error for multimer structure predictions and crosslinks
title_full PAE viewer: a webserver for the interactive visualization of the predicted aligned error for multimer structure predictions and crosslinks
title_fullStr PAE viewer: a webserver for the interactive visualization of the predicted aligned error for multimer structure predictions and crosslinks
title_full_unstemmed PAE viewer: a webserver for the interactive visualization of the predicted aligned error for multimer structure predictions and crosslinks
title_short PAE viewer: a webserver for the interactive visualization of the predicted aligned error for multimer structure predictions and crosslinks
title_sort pae viewer: a webserver for the interactive visualization of the predicted aligned error for multimer structure predictions and crosslinks
topic Web Server Issue
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10320053/
https://www.ncbi.nlm.nih.gov/pubmed/37140053
http://dx.doi.org/10.1093/nar/gkad350
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