Prediction of protein assemblies, the next frontier: The CASP14‐CAPRI experiment
Authors: Lensink Marc F. , Brysbaert Guillaume , Mauri Théo , Nadzirin Nurul , Velankar Sameer , Chaleil Raphael A. G. , Clarence Tereza , Bates Paul A. , Kong Ren , Liu Bin , Yang Guangbo , Liu Ming , Shi Hang , Lu Xufeng , Chang Shan , Roy Raj S. , Quadir Farhan , Liu Jian , Cheng Jianlin , Antoniak Anna , Czaplewski Cezary , Giełdoń Artur , Kogut Mateusz , Lipska Agnieszka G. , Liwo Adam , Lubecka Emilia A. , Maszota‐Zieleniak Martyna , Sieradzan Adam K. , Ślusarz Rafał , Wesołowski Patryk A. , Zięba Karolina , Del Carpio Muñoz Carlos A. , Ichiishi Eiichiro , Harmalkar Ameya , Gray Jeffrey J. , Bonvin Alexandre M. J. J. , Ambrosetti Francesco , Vargas Honorato Rodrigo , Jandova Zuzana , Jiménez‐García Brian , Koukos Panagiotis I. , Van Keulen Siri , Van Noort Charlotte W. , Réau Manon , Roel‐Touris Jorge , Kotelnikov Sergei , Padhorny Dzmitry , Porter Kathryn A. , Alekseenko Andrey , Ignatov Mikhail , Desta Israel , Ashizawa Ryota , Sun Zhuyezi , Ghani Usman , Hashemi Nasser , Vajda Sandor , Kozakov Dima , Rosell Mireia , Rodríguez‐Lumbreras Luis A. , Fernandez‐Recio Juan , Karczynska Agnieszka , Grudinin Sergei , Yan Yumeng , Li Hao , Lin Peicong , Huang Sheng‐You , Christoffer Charles , Terashi Genki , Verburgt Jacob , Sarkar Daipayan , Aderinwale Tunde , Wang Xiao , Kihara Daisuke , Nakamura Tsukasa , Hanazono Yuya , Gowthaman Ragul , Guest Johnathan D. , Yin Rui , Taherzadeh Ghazaleh , Pierce Brian G. , Barradas‐Bautista Didier , Cao Zhen , Cavallo Luigi , Oliva Romina , Sun Yuanfei , Zhu Shaowen , Shen Yang , Park Taeyong , Woo Hyeonuk , Yang Jinsol , Kwon Sohee , Won Jonghun , Seok Chaok , Kiyota Yasuomi , Kobayashi Shinpei , Harada Yoshiki , Takeda‐Shitaka Mayuko , Kundrotas Petras J. , Singh Amar , Vakser Ilya A. , Dapkūnas Justas , Olechnovič Kliment , Venclovas Česlovas , Duan Rui , Qiu Liming , Xu Xianjin , Zhang Shuang , Zou Xiaoqin , Wodak Shoshana J. 
Published: August 2021

AbstractWe present the results for CAPRI Round 50, the fourth joint CASP‐CAPRI protein assembly prediction challenge. The Round comprised a total of twelve targets, including six dimers, three trimers, and three 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 eight automatic servers submitted ~1250 models per target. Twenty groups including six 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 five 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.