EMNUSS: a deep learning framework for secondary structure annotation in cryo-EM maps

被引:18
作者
He, Jiahua [1 ]
Huang, Sheng-You [1 ]
机构
[1] Huazhong Univ Sci & Technol, Sch Phys, Wuhan 430074, Hubei, Peoples R China
基金
中国国家自然科学基金;
关键词
cryo-electron microscopy (cryo-EM); secondary structure; deep learning; nested U-net; EM maps; PROTEIN-STRUCTURE; DENSITY MAPS; CRYOELECTRON MICROSCOPY; STRUCTURE ELEMENTS; IDENTIFICATION;
D O I
10.1093/bib/bbab156
中图分类号
Q5 [生物化学];
学科分类号
071010 ; 081704 ;
摘要
Cryo-electron microscopy (cryo-EM) has become one of important experimental methods in structure determination. However, despite the rapid growth in the number of deposited cryo-EM maps motivated by advances in microscopy instruments and image processing algorithms, building accurate structure models for cryo-EM maps remains a challenge. Protein secondary structure information, which can be extracted from EM maps, is beneficial for cryo-EM structure modeling. Here, we present a novel secondary structure annotation framework for cryo-EM maps at both intermediate and high resolutions, named EMNUSS. EMNUSS adopts a three-dimensional (3D) nested U-net architecture to assign secondary structures for EM maps. Tested on three diverse datasets including simulated maps, middle resolution experimental maps, and high-resolution experimental maps, EMNUSS demonstrated its accuracy and robustness in identifying the secondary structures for cyro-EM maps of various resolutions. The EMNUSS program is freely available at http://huanglab.phys.hust.edu.cn/EMNUSS.
引用
收藏
页数:13
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共 55 条
  • [1] State-of-the-art web services for de novo protein structure prediction
    Abriata, Luciano A.
    Dal Peraro, Matteo
    [J]. BRIEFINGS IN BIOINFORMATICS, 2021, 22 (03)
  • [2] Auto3DCryoMap: an automated particle alignment approach for 3D cryo-EM density map reconstruction
    Al-Azzawi, Adil
    Ouadou, Anes
    Duan, Ye
    Cheng, Jianlin
    [J]. BMC BIOINFORMATICS, 2020, 21 (Suppl 21)
  • [3] DeepCryoPicker: fully automated deep neural network for single protein particle picking in cryo-EM
    Al-Azzawi, Adil
    Ouadou, Anes
    Max, Highsmith
    Duan, Ye
    Tanner, John J.
    Cheng, Jianlin
    [J]. BMC BIOINFORMATICS, 2020, 21 (01)
  • [4] Advances in Structure Modeling Methods for Cryo-Electron Microscopy Maps
    Alnabati, Eman
    Kihara, Daisuke
    [J]. MOLECULES, 2020, 25 (01):
  • [5] Identification of secondary structure elements in intermediate-resolution density maps
    Baker, Matthew L.
    Ju, Tao
    Chiu, Wah
    [J]. STRUCTURE, 2007, 15 (01) : 7 - 19
  • [6] Modeling protein structure at near atomic resolutions with Gorgon
    Baker, Matthew L.
    Abeysinghe, Sasakthi S.
    Schuh, Stephen
    Coleman, Ross A.
    Abrams, Austin
    Marsh, Michael P.
    Hryc, Corey F.
    Ruths, Troy
    Chiu, Wah
    Ju, Tao
    [J]. JOURNAL OF STRUCTURAL BIOLOGY, 2011, 174 (02) : 360 - 373
  • [7] Tor forms a dimer through an N-terminal helical solenoid with a complex topology
    Baretic, Domagoj
    Berndt, Alex
    Ohashi, Yohei
    Johnson, Christopher M.
    Williams, Roger L.
    [J]. NATURE COMMUNICATIONS, 2016, 7
  • [8] The Protein Data Bank
    Berman, HM
    Westbrook, J
    Feng, Z
    Gilliland, G
    Bhat, TN
    Weissig, H
    Shindyalov, IN
    Bourne, PE
    [J]. NUCLEIC ACIDS RESEARCH, 2000, 28 (01) : 235 - 242
  • [9] PF2 fit: Polar Fast Fourier Matched Alignment of Atomistic Structures with 3D Electron Microscopy Maps
    Bettadapura, Radhakrishna
    Rasheed, Muhibur
    Vollrath, Antje
    Bajaj, Chandrajit
    [J]. PLOS COMPUTATIONAL BIOLOGY, 2015, 11 (10)
  • [10] Automation and assessment of de novo modeling with Pathwalking in near atomic resolution cryoEM density maps
    Chen, Muyuan
    Baker, Matthew L.
    [J]. JOURNAL OF STRUCTURAL BIOLOGY, 2018, 204 (03) : 555 - 563