SWISS-MODEL: modelling protein tertiary and quaternary structure using evolutionary information

被引:3761
作者
Biasini, Marco [1 ,2 ]
Bienert, Stefan [1 ,2 ]
Waterhouse, Andrew [1 ,2 ]
Arnold, Konstantin [1 ,2 ]
Studer, Gabriel [1 ,2 ]
Schmidt, Tobias [1 ,2 ]
Kiefer, Florian [1 ,2 ]
Cassarino, Tiziano Gallo [1 ,2 ]
Bertoni, Martino [1 ,2 ]
Bordoli, Lorenza [1 ,2 ]
Schwede, Torsten [1 ,2 ]
机构
[1] Univ Basel, Biozentrum, CH-4056 Basel, Switzerland
[2] SIB Swiss Inst Bioinformat, CH-4056 Basel, Switzerland
关键词
STRUCTURE PREDICTION; SECONDARY STRUCTURE; QUALITY; WEB; RECOGNITION; ENVIRONMENT; PDBVIEWER; SINGLE; SERVER; SCORE;
D O I
10.1093/nar/gku340
中图分类号
Q5 [生物化学]; Q7 [分子生物学];
学科分类号
071010 ; 081704 ;
摘要
Protein structure homology modelling has become a routine technique to generate 3D models for proteins when experimental structures are not available. Fully automated servers such as SWISS-MODEL with user-friendly web interfaces generate reliable models without the need for complex software packages or downloading large databases. Here, we describe the latest version of the SWISS-MODEL expert system for protein structure modelling. The SWISS-MODEL template library provides annotation of quaternary structure and essential ligands and co-factors to allow for building of complete structural models, including their oligomeric structure. The improved SWISS-MODEL pipeline makes extensive use of model quality estimation for selection of the most suitable templates and provides estimates of the expected accuracy of the resulting models. The accuracy of the models generated by SWISS-MODEL is continuously evaluated by the CAMEO system. The new web site allows users to interactively search for templates, cluster them by sequence similarity, structurally compare alternative templates and select the ones to be used for model building. In cases where multiple alternative template structures are available for a protein of interest, a user-guided template selection step allows building models in different functional states.
引用
收藏
页码:W252 / W258
页数:7
相关论文
共 35 条
[1]   Gapped BLAST and PSI-BLAST: a new generation of protein database search programs [J].
Altschul, SF ;
Madden, TL ;
Schaffer, AA ;
Zhang, JH ;
Zhang, Z ;
Miller, W ;
Lipman, DJ .
NUCLEIC ACIDS RESEARCH, 1997, 25 (17) :3389-3402
[2]  
[Anonymous], 2013, Database
[3]   Ongoing and future developments at the Universal Protein Resource [J].
Apweiler, Rolf ;
Martin, Maria Jesus ;
O'Donovan, Claire ;
Magrane, Michele ;
Alam-Faruque, Yasmin ;
Antunes, Ricardo ;
Barrell, Daniel ;
Bely, Benoit ;
Bingley, Mark ;
Binns, David ;
Bower, Lawrence ;
Browne, Paul ;
Chan, Wei Mun ;
Dimmer, Emily ;
Eberhardt, Ruth ;
Fazzini, Francesco ;
Fedotov, Alexander ;
Foulger, Rebecca ;
Garavelli, John ;
Castro, Leyla Garcia ;
Huntley, Rachael ;
Jacobsen, Julius ;
Kleen, Michael ;
Laiho, Kati ;
Legge, Duncan ;
Lin, Quan ;
Liu, Wudong ;
Luo, Jie ;
Orchard, Sandra ;
Patient, Samuel ;
Pichler, Klemens ;
Poggioli, Diego ;
Pontikos, Nikolas ;
Pruess, Manuela ;
Rosanoff, Steven ;
Sawford, Tony ;
Sehra, Harminder ;
Turner, Edward ;
Corbett, Matt ;
Donnelly, Mike ;
van Rensburg, Pieter ;
Xenarios, Ioannis ;
Bougueleret, Lydie ;
Auchincloss, Andrea ;
Argoud-Puy, Ghislaine ;
Axelsen, Kristian ;
Bairoch, Amos ;
Baratin, Delphine ;
Blatter, Marie-Claude ;
Boeckmann, Brigitte .
NUCLEIC ACIDS RESEARCH, 2011, 39 :D214-D219
[4]   The SWISS-MODEL workspace: a web-based environment for protein structure homology modelling [J].
Arnold, K ;
Bordoli, L ;
Kopp, J ;
Schwede, T .
BIOINFORMATICS, 2006, 22 (02) :195-201
[5]   Protein structure prediction and structural genomics [J].
Baker, D ;
Sali, A .
SCIENCE, 2001, 294 (5540) :93-96
[6]   Toward the estimation of the absolute quality of individual protein structure models [J].
Benkert, Pascal ;
Biasini, Marco ;
Schwede, Torsten .
BIOINFORMATICS, 2011, 27 (03) :343-350
[7]   QMEAN server for protein model quality estimation [J].
Benkert, Pascal ;
Kuenzli, Michael ;
Schwede, Torsten .
NUCLEIC ACIDS RESEARCH, 2009, 37 :W510-W514
[8]   The worldwide Protein Data Bank (wwPDB): ensuring a single, uniform archive of PDB data [J].
Berman, Helen ;
Henrick, Kim ;
Nakamura, Haruki ;
Markley, John L. .
NUCLEIC ACIDS RESEARCH, 2007, 35 :D301-D303
[9]   OpenStructure: an integrated software framework for computational structural biology [J].
Biasini, M. ;
Schmidt, T. ;
Bienert, S. ;
Mariani, V. ;
Studer, G. ;
Haas, J. ;
Johner, N. ;
Schenk, A. D. ;
Philippsen, A. ;
Schwede, T. .
ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY, 2013, 69 :701-709
[10]   Protein structure homology modeling using SWISS-MODEL workspace [J].
Bordoli, Lorenza ;
Kiefer, Florian ;
Arnold, Konstantin ;
Benkert, Pascal ;
Battey, James ;
Schwede, Torsten .
NATURE PROTOCOLS, 2009, 4 (01) :1-13