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for main-chain chemical shifts


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About RCI:

RCI webserver predicts protein flexibility by calculating the Random Coil Index from backbone chemical shifts (Cα, CO, Cβ, N, Hα, NH) and estimating values of model-free order parameters as well as per-residue RMSF of NMR and MD ensembles from the Random Coil Index.

Please cite: Mark V. Berjanskii, David S. Wishart (2005) A Simple Method To Predict Protein Flexibility Using Secondary Chemical Shifts.  Journal of the American Chemical Society, 127 (43), 14970 -14971

You can download a stand-alone main-chain RCI program for Linux and Python 2.X here. Side-chain RCI web server can be accessed here.
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Basic usage

Select the format of input file: BMRB NMR-STAR (Example) SHIFTY (Example)

Upload file with chemical shifts here:


 

OR

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.



Input name:   
Name is optional and used only when you paste shifts. Please use letters and numbers only, no spaces.
Input name will become a part of output filename. If you do not name your input, a random number will be used.

  


Advanced options

1) Random coil values Schwarzinger (Default)  Wang  Wishart  Lukin 
2) Neighboring residue correction Schwarzinger (Default)  Wang 
3) Exclude unassigned residues from analysis Yes (Default)  No 
4) Should a correction of terminal end-effects be applied? Yes (Default)  No  Exclude the first 3 and the last 3 aa 
5) Fill small gaps in distributions of secondary chemical shifts Yes (Default)  No 
6) Correct referencing of chemical shifts No (Default)  Yes 
7) Predict secondary structure from chemical shifts Yes (Default)  No 

   

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