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Prediction of protein assemblies, the next frontier: The CASP14‐CAPRI experiment

Abstract

We present the results for CAPRI Round 50, the 4th joint CASP-CAPRI protein assembly prediction challenge. The Round comprised a total of 12 targets, including 6 dimers, 3 trimers, and 3 higher-order oligomers. Four of these were easy targets, for which good structural templates were available either for the full assembly, or for the main interfaces (of the higher-order oligomers). Eight were difficult targets for which only distantly related templates were found for the individual subunits. Twenty-five CAPRI groups including 8 automatic servers submitted ~1250 models per target. Twenty groups including 6 servers participated in the CAPRI scoring challenge submitted ~190 models per target. The accuracy of the predicted models was evaluated using the classical CAPRI criteria. The prediction performance was measured by a weighted scoring scheme that takes into account the number of models of acceptable quality or higher submitted by each group as part of their 5 top-ranking models. Compared to the previous CASP-CAPRI challenge, top performing groups submitted such models for a larger fraction (70–75%) of the targets in this Round, but fewer of these models were of high accuracy. Scorer groups achieved stronger performance with more groups submitting correct models for 70–80% of the targets or achieving high accuracy predictions. Servers performed less well in general, except for the MDOCKPP and LZERD servers, who performed on par with human groups. In addition to these results, major advances in methodology are discussed, providing an informative overview of where the prediction of protein assemblies currently stands.

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Authors (108)

  • Photo of  Marc F. Lensink

    Marc F. Lensink

  • Photo of  Guillaume Brysbaert

    Guillaume Brysbaert

  • Photo of  Théo Mauri

    Théo Mauri

  • Photo of  Nurul Nadzirin

    Nurul Nadzirin

  • Photo of  Sameer Velankar

    Sameer Velankar

  • Photo of  Raphael A. G. Chaleil

    Raphael A. G. Chaleil

  • Photo of  Tereza Clarence

    Tereza Clarence

  • Photo of  Paul A. Bates

    Paul A. Bates

  • Photo of  Ren Kong

    Ren Kong

  • Photo of  Bin Liu

    Bin Liu

  • Photo of  Guangbo Yang

    Guangbo Yang

  • Photo of  Ming Liu

    Ming Liu

  • Photo of  Hang Shi

    Hang Shi

  • Photo of  Xufeng Lu

    Xufeng Lu

  • Photo of  Shan Chang

    Shan Chang

  • Photo of  Raj S. Roy

    Raj S. Roy

  • Photo of  Farhan Quadir

    Farhan Quadir

  • Photo of  Jian Liu

    Jian Liu

  • Photo of  Jianlin Cheng

    Jianlin Cheng

  • Photo of  Anna Antoniak

    Anna Antoniak

  • Photo of Dr hab. Cezary Czaplewski

    Cezary Czaplewski Dr hab.

  • Photo of  Artur Giełdoń

    Artur Giełdoń

  • Photo of  Mateusz Kogut

    Mateusz Kogut

  • Photo of  Agnieszka G. Lipska

    Agnieszka G. Lipska

  • Photo of  Adam Liwo

    Adam Liwo

  • Photo of  Martyna Maszota‐Zieleniak

    Martyna Maszota‐Zieleniak

  • Photo of  Adam K. Sieradzan

    Adam K. Sieradzan

  • Photo of  Patryk A. Wesołowski

    Patryk A. Wesołowski

  • Photo of  Karolina ZiĘba

    Karolina ZiĘba

  • Photo of  Carlos A. Del Carpio Muñoz

    Carlos A. Del Carpio Muñoz

  • Photo of  Eiichiro Ichiishi

    Eiichiro Ichiishi

  • Photo of  Ameya Harmalkar

    Ameya Harmalkar

  • Photo of  Jeffrey J. Gray

    Jeffrey J. Gray

  • Photo of  Alexandre M. J. J. Bonvin

    Alexandre M. J. J. Bonvin

  • Photo of  Francesco Ambrosetti

    Francesco Ambrosetti

  • Photo of  Rodrigo Vargas Honorato

    Rodrigo Vargas Honorato

  • Photo of  Zuzana Jandova

    Zuzana Jandova

  • Photo of  Brian Jiménez‐García

    Brian Jiménez‐García

  • Photo of  Panagiotis I. Koukos

    Panagiotis I. Koukos

  • Photo of  Siri Van Keulen

    Siri Van Keulen

  • Photo of  Charlotte W. Van Noort

    Charlotte W. Van Noort

  • Photo of  Manon Réau

    Manon Réau

  • Photo of  Jorge Roel‐Touris

    Jorge Roel‐Touris

  • Photo of  Sergei Kotelnikov

    Sergei Kotelnikov

  • Photo of  Dzmitry Padhorny

    Dzmitry Padhorny

  • Photo of  Kathryn A. Porter

    Kathryn A. Porter

  • Photo of  Andrey Alekseenko

    Andrey Alekseenko

  • Photo of  Mikhail Ignatov

    Mikhail Ignatov

  • Photo of  Israel Desta

    Israel Desta

  • Photo of  Ryota Ashizawa

    Ryota Ashizawa

  • Photo of  Zhuyezi Sun

    Zhuyezi Sun

  • Photo of  Usman Ghani

    Usman Ghani

  • Photo of  Nasser Hashemi

    Nasser Hashemi

  • Photo of  Sandor Vajda

    Sandor Vajda

  • Photo of  Dima Kozakov

    Dima Kozakov

  • Photo of  Mireia Rosell

    Mireia Rosell

  • Photo of  Luis A. Rodríguez‐Lumbreras

    Luis A. Rodríguez‐Lumbreras

  • Photo of  Juan Fernandez‐Recio

    Juan Fernandez‐Recio

  • Photo of  Agnieszka Karczynska

    Agnieszka Karczynska

  • Photo of  Sergei Grudinin

    Sergei Grudinin

  • Photo of  Yumeng Yan

    Yumeng Yan

  • Photo of  Hao Li

    Hao Li

  • Photo of  Peicong Lin

    Peicong Lin

  • Photo of  Sheng‐You Huang

    Sheng‐You Huang

  • Photo of  Charles Christoffer

    Charles Christoffer

  • Photo of  Genki Terashi

    Genki Terashi

  • Photo of  Jacob Verburgt

    Jacob Verburgt

  • Photo of  Daipayan Sarkar

    Daipayan Sarkar

  • Photo of  Tunde Aderinwale

    Tunde Aderinwale

  • Photo of  Xiao Wang

    Xiao Wang

  • Photo of  Daisuke Kihara

    Daisuke Kihara

  • Photo of  Tsukasa Nakamura

    Tsukasa Nakamura

  • Photo of  Yuya Hanazono

    Yuya Hanazono

  • Photo of  Ragul Gowthaman

    Ragul Gowthaman

  • Photo of  Johnathan D. Guest

    Johnathan D. Guest

  • Photo of  Rui Yin

    Rui Yin

  • Photo of  Ghazaleh Taherzadeh

    Ghazaleh Taherzadeh

  • Photo of  Brian G. Pierce

    Brian G. Pierce

  • Photo of  Didier Barradas‐Bautista

    Didier Barradas‐Bautista

  • Photo of  Zhen Cao

    Zhen Cao

  • Photo of  Luigi Cavallo

    Luigi Cavallo

  • Photo of  Romina Oliva

    Romina Oliva

  • Photo of  Yuanfei Sun

    Yuanfei Sun

  • Photo of  Shaowen Zhu

    Shaowen Zhu

  • Photo of  Yang Shen

    Yang Shen

  • Photo of  Taeyong Park

    Taeyong Park

  • Photo of  Hyeonuk Woo

    Hyeonuk Woo

  • Photo of  Jinsol Yang

    Jinsol Yang

  • Photo of  Sohee Kwon

    Sohee Kwon

  • Photo of  Jonghun Won

    Jonghun Won

  • Photo of  Chaok Seok

    Chaok Seok

  • Photo of  Yasuomi Kiyota

    Yasuomi Kiyota

  • Photo of  Shinpei Kobayashi

    Shinpei Kobayashi

  • Photo of  Yoshiki Harada

    Yoshiki Harada

  • Photo of  Mayuko Takeda‐Shitaka

    Mayuko Takeda‐Shitaka

  • Photo of  Petras J. Kundrotas

    Petras J. Kundrotas

  • Photo of  Amar Singh

    Amar Singh

  • Photo of  Ilya A. Vakser

    Ilya A. Vakser

  • Photo of  Justas DapkŪnas

    Justas DapkŪnas

  • Photo of  Kliment Olechnovič

    Kliment Olechnovič

  • Photo of  Česlovas Venclovas

    Česlovas Venclovas

  • Photo of  Rui Duan

    Rui Duan

  • Photo of  Liming Qiu

    Liming Qiu

  • Photo of  Shuang Zhang

    Shuang Zhang

  • Photo of  Xiaoqin Zou

    Xiaoqin Zou

  • Photo of  Shoshana J. Wodak

    Shoshana J. Wodak

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Category:
Articles
Type:
artykuły w czasopismach
Published in:
PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS no. 89, pages 1800 - 1823,
ISSN: 0887-3585
Language:
English
Publication year:
2021
Bibliographic description:
Lensink M. F., Brysbaert G., Mauri T., Nadzirin N., Velankar S., Chaleil R. A. G., Clarence T., Bates P. A., Kong R., Liu B., Yang G., Liu M., Shi H., Lu X., Chang S., Roy R. S., Quadir F., Liu J., Cheng J., Antoniak A., Czaplewski C., Giełdoń A., Kogut M., Lipska A. G., Liwo A., Lubecka E., Maszota‐zieleniak M., Sieradzan A. K., Ślusarz R., Wesołowski P. A., Zięba K., Del Carpio Muñoz C. A., Ichiishi E., Harmalkar A., Gray J. J., Bonvin A. M. J. J., Ambrosetti F., Honorato R. V., Jandova Z., Jiménez‐garcía B., Koukos P. I., Van Keulen S., Van Noort C. W., Réau M., Roel‐touris J., Kotelnikov S., Padhorny D., Porter K. A., Alekseenko A., Ignatov M., Desta I., Ashizawa R., Sun Z., Ghani U., Hashemi N., Vajda S., Kozakov D., Rosell M., Rodríguez‐lumbreras L. A., Fernandez‐recio J., Karczynska A., Grudinin S., Yan Y., Li H., Lin P., Huang S., Christoffer C., Terashi G., Verburgt J., Sarkar D., Aderinwale T., Wang X., Kihara D., Nakamura T., Hanazono Y., Gowthaman R., Guest J. D., Yin R., Taherzadeh G., Pierce B. G., Barradas‐bautista D., Cao Z., Cavallo L., Oliva R., Sun Y., Zhu S., Shen Y., Park T., Woo H., Yang J., Kwon S., Won J., Seok C., Kiyota Y., Kobayashi S., Harada Y., Takeda‐shitaka M., Kundrotas P. J., Singh A., Vakser I. A., Dapkūnas J., Olechnovič K., Venclovas Č., Duan R., Qiu L., Zhang S., Zou X., Wodak S. J.: Prediction of protein assemblies, the next frontier: The CASP14‐CAPRI experiment// PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS -Vol. 89,iss. 12 (2021), s.1800-1823
DOI:
Digital Object Identifier (open in new tab) 10.1002/prot.26222
Verified by:
Gdańsk University of Technology

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