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PREDITOR Help Wishart lab

PREDITOR is a program for PREDIcting φ, ψ, χ1, and ω TORsion angles in proteins  from 13C, 15N and 1H chemical shifts and sequential homology. PREDITOR's accuracy in predicting φ and ψ is close to 90%. The average χ1 accuracy is 84% while the ω accuracy is 99.98% for trans peptide bond identification and 93% for cis peptide bond identification. Overall, the program is 35X faster and its predictions are approximately 20% better than existing methods. You can find additional information about PREDITOR protocol on...

Please cite:  Berjanskii MV, Neal S, Wishart DS. PREDITOR: a web server for predicting protein torsion angle restraints. Nucleic Acids Res. 2006 Jul 1;34(Web Server issue):W63-9.

Basic usage
Select the format of the input file: BMRB NMR-STAR (Example)
SHIFTY (Example)
FASTA (Example)
Upload chemical shift file
Paste chemical shifts into the text box below:
IMPORTANT: If a file is selected for upload above, it will be used and content of the text box below will be ignored.


Advanced options
Initial steps:
yes no Re-reference chemical shifts
yes no Only display PDB homologues
Predict dihedral angles using BMRB/SHIFTY input and...
 Chemical shifts and a PDB homologue (Default)
 Chemical shifts only
 A PDB homologue only
 Chemical shifts and a homologous protein of your choice
     - if you use the last option, enter PDB ID or PDB ID & chain letter  (Example)
Only homology-based predictions will be run for FASTA input regardless selection of advanced options listed above
In addition to predicted angles, output...
yes no X-PLOR/CNS torsion angle restraints
yes no CYANA/AMBER torsion angle restraints
yes no Re-referenced chemical shifts
yes no Predictions of secondary structure using Chemical Shift Index (CSI)
yes no Predictions of protein flexibility using Random Coil Index (RCI)
yes no PDB homologues


Problems? Questions? Suggestions? Please contact: Mark Berjanskii or the Canadian Bioinformatics Help Desk
PREDITOR database is DB 1.0 (141 proteins, built on April 10th, 2006)

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Usage of the WeNMR/WestLife portals should be acknowledged in any publication:
"The FP7 WeNMR (project# 261572), H2020 West-Life (project# 675858) and the EOSC-hub (project# 777536) European e-Infrastructure projects are acknowledged for the use of their web portals, which make use of the EGI infrastructure with the dedicated support of CESNET-MetaCloud, INFN-PADOVA, NCG-INGRID-PT, TW-NCHC, SURFsara and NIKHEF, and the additional support of the national GRID Initiatives of Belgium, France, Italy, Germany, the Netherlands, Poland, Portugal, Spain, UK, Taiwan and the US Open Science Grid."
And the following article describing the WeNMR portals should be cited:
Wassenaar et al. (2012). WeNMR: Structural Biology on the Grid.J. Grid. Comp., 10:743-767.


The WeNMR Virtual Research Community has been the first to be officially recognized by the EGI.

European Union

WeNMR is an e-Infrastructure project funded under the 7th framework of the EU. Contract no. 261572

WestLife, the follow up project of WeNMR is a Virtual Research Environment e-Infrastructure project funded under Horizon 2020. Contract no. 675858