I-TASSER Suite 3.0

( What is new in I-TASSER V3.0 Package?)

I-TASSER Suite is a package of standalone computer programs which were developed for large-scale protein structure prediction, refinement, and structure-based function annotations. A detailed instruction on how to download and install the Suite is available in README3.0.txt. Please report bugs and questions at I-TASSER message board and some members will study the problems and answer them asap. The I-TASSER Suite is free for academic and non-profit researchers.

Through the I-TASSER License, the researchers have the access to the following standalone programs (this list may be updated when new algorithms are developed):

  • I-TASSER: A standalone I-TASSER package for protein 3D structure prediction and refinement.
  • COACH: A function annotation program based on COFACTOR, TM-SITE and S-SITE
  • COFACTOR: A program for ligand-binding site, EC number & GO term prediction
  • TM-SITE: A structure-based approach for ligand-binding site prediction
  • S-SITE: A sequence-based approach for ligand-binding site prediction
  • MUSTER: A threading program to identify templates from a non-redundant protein structure library.
  • LOMETS: A set of locally installed threading programs for meta-server protein structure prediction.
  • SPICKER: A clustering program to identify near-native protein model from structure decoys.
  • HAAD: A program for quickly adding hydrogen atoms to protein heavy-atom structures.
  • EDTSurf: A program to construct triangulated surfaces of protein molecules.
  • ModRefiner: A program to construct and refine atomic-level protein models from C-alpha traces.
  • NW-align: A robust program for protein sequence-to-sequence alignments by Needleman-Wunsch algorithm.
  • PSSpred: A highly accurate program for protein secondary structure prediction.
The I-TASSER template library is weekly updated and freelly accessible to the I-TASSER users.

If you have a I-TASSER license, please go to I-TASSER download webpage to download the I-TASSER Suite. If you do not have a I-TASSER license, please go to

  • Here to obtain an academic licence for nonprofit use;
  • Here to obtain a commercial licence for commercial use.


References and citations of I-TASSER Suite:
  • I-TASSER:
    • Y Zhang. I-TASSER server for protein 3D structure prediction. BMC Bioinformatics, vol 9, 40 (2008). (download the PDF file).
    • A Roy, A Kucukural, Y Zhang. I-TASSER: a unified platform for automated protein structure and function prediction. Nature Protocols, 5: 725-738 (2010) (download the PDF file)
  • COACH:
    • J Yang, A Roy, Y Zhang. Protein-ligand binding site recognition using complementary binding-specific substructure comparison and sequence profile alignment, Bioinformatics, 29:2588-2595 (2013) (download the PDF file)
  • COFACTOR:
    • A Roy, J Yang, Y Zhang. COFACTOR: An accurate comparative algorithm for structure-based protein function annotation. Nucleic Acids Research, 40:W471-W477 (2012) (download the PDF file)
  • TM-SITE:
    • J Yang, A Roy, Y Zhang. Protein-ligand binding site recognition using complementary binding-specific substructure comparison and sequence profile alignment, Bioinformatics, 29:2588-2595 (2013) (download the PDF file)
  • S-SITE:
    • J Yang, A Roy, Y Zhang. Protein-ligand binding site recognition using complementary binding-specific substructure comparison and sequence profile alignment, Bioinformatics, 29:2588-2595 (2013) (download the PDF file)
  • MUSTER:
    • S Wu, Y Zhang. MUSTER: Improving protein sequence profile-profile alignments by using multiple sources of structure information. Proteins, 72: 547-556 (2008) (download the PDF file)
  • LOMETS:
    • S Wu, Y Zhang. LOMETS: A local meta-threading-server for protein structure prediction. Nucleic Acids Research, 35: 3375-3382 (2007) (download the PDF file).
  • SPICKER:
    • Y Zhang, J Skolnick, SPICKER: Approach to clustering protein structures for near-native model selection, Journal of Computational Chemistry, 25: 865-871 (2004) (download the PDF file).
  • HAAD:
    • Y Li, A Roy, Y Zhang, HAAD: A Quick Algorithm for Accurate Prediction of Hydrogen Atoms in Protein Structures, PLoS One, 4: e6701 (2009) (download the PDF file)
  • EDTSurf:
    • D Xu, Y Zhang, Generating Triangulated Macromolecular Surfaces by Euclidean Distance Transform. PLoS ONE 4: e8140 (2009) (download the PDF file).
  • ModRefiner:
    • D Xu, Y Zhang. Improving the Physical Realism and Structural Accuracy of Protein Models by a Two-step Atomic-level Energy Minimization. Biophysical Journal, vol 101, 2525-2534 (2011). (download the PDF file).
  • NW-align:
    • Y Zhang, http://zhanglab.ccmb.med.umich.edu/NW-align
  • PSSpred:
    • Y Zhang, http://zhanglab.ccmb.med.umich.edu/PSSpred
 


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