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CS23D2.0 is a web server for rapidly generating accurate 3D protein structures using only assigned NMR chemical shifts as input. Unlike conventional NMR methods, which require NOE and/or J-coupling data, CS23D2.0 uses only chemical shift information to generate a 3D structure of the protein of interest. CS23D2.0 accepts chemical shift files in either SHIFTY or BMRB formats and produces a set of PDB coordinates for the protein in about 10-15 minutes. CS23D2.0 uses a combination of maximal subfragment assembly, chemical shift threading, shift-based torsion angle prediction and chemical shift refinement to generate and refine the protein coordinates. Tests indicate that CS23D2.0 converges (i.e. finds a solution) for about 90% of protein queries. The performance is dependent on the completeness of the chemical shift assignments and the similarity of the query protein to known 3D folds. If you use the results of the CS23D2.0 server in a publication, please cite the following paper:
Wishart DS, Arndt D, Berjanskii M, Tang P, Zhou J, Lin G. CS23D: a web server for rapid protein structure generation using NMR chemical shifts and sequence data. Nucleic Acids Res. 2008 Jul 1;36(Web Server issue):W496-502.

To operate this server:

1) Select or Paste to a file (BMRB or SHIFTY format) containing the sequence and chemical shifts of the protein of interest.
2) Type in a VALID email address. The results will be emailed to you.
3) Press the submit button.

Examples:

(you could run them to test the server, please do not overdo this)


1) Email Address (required):
2) Self define your input case name(optional): (For example, 1ABC)
3) Select FASTA file:
OR type (paste) the FASTA sequence into the space below (see examples here):
4) Select chemical shift file:
OR type (paste) the chemical shift file into the space below (see examples here):
------OPTIONS-------
Exclude PDB when selecting homolog(For example, 1ABC;
if more than one, please use space or ',' to separate them.)
Ignore exact Matching Structures in Calculation
Number of Ensemble Structures Generated:
Number of GAFolder Iterations:

 

Below shows the current status of the CS23D2.0 server, indicating which jobs have been set to process.

Problems? Suggestions? Please contact feedback

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