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for side-chains


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About Side-Chain RCI:

Side-chain RCI webserver predicts protein side-chain mobility by calculating the Side-Chain Random Coil Index from side-chain chemical shifts and predicting per-residue RMSD of NMR and MD ensembles as well as fractional accessible surface area of protein residues from the Random Coil Index.

Citation: Mark V. Berjanskii, David S. Wishart (2013) A simple method to measure protein side-chain mobility using NMR chemical shifts.  Journal of the American Chemical Society, DOI: 10.1021/ja407509z Publication Date (Web): September 13, 2013

You can also download a Python stand-alone side-chain RCI program for Linux here. Main-chain RCI web server can be accessed here.
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Basic usage

Select the format of input file: BMRB NMR-STAR 2.1 (Example) NEF (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 for side-chain RCI:

Display typical errors of predicting MD RMSD, NMR RMSD, ASAf, and B-factors that are observed in the RCI testing sets No  Yes 

   

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