期刊名称：Proceedings of the National Academy of Sciences
印刷版ISSN：0027-8424
电子版ISSN：1091-6490
出版年度：2018
卷号：115
期号：7
页码：1511-1516
DOI：10.1073/pnas.1716817115
语种：English
出版社：The National Academy of Sciences of the United States of America
摘要：β -Barrel membrane proteins ( β MPs) play important roles, but knowledge of their structures is limited. We have developed a method to predict their 3D structures. We predict strand registers and construct transmembrane (TM) domains of β MPs accurately, including proteins for which no prediction has been attempted before. Our method also accurately predicts structures from protein families with a limited number of sequences and proteins with novel folds. An average main-chain rmsd of 3.48 Å is achieved between predicted and experimentally resolved structures of TM domains, which is a significant improvement ( > 3 Å) over a recent study. For β MPs with NMR structures, the deviation between predictions and experimentally solved structures is similar to the difference among the NMR structures, indicating excellent prediction accuracy. Moreover, we can now accurately model the extended β -barrels and loops in non-TM domains, increasing the overall coverage of structure prediction by > 30 %. Our method is general and can be applied to genome-wide structural prediction of β MPs.
