mailRe: unexpected mf S2 values


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Posted by Troels Emtekær Linnet on February 25, 2014 - 09:04:
Dear Soumya.

Would you be able to provide the script you have used for the analysis?
Or did you use the GUI?

That could help find possible "errors".
I guess that it would be something similar to:
http://www.nmr-relax.com/manual/Single_model_free_model_script_mode_sample_script.html

If you have saved the output from relax prompt, I have tried to make a
grep script that convert the
output to a relax script.
http://wiki.nmr-relax.com/Grep_log_file

Best
Troels

2014-02-25 7:25 GMT+01:00 Soumya Joseph <soumya.joseph@xxxxxxxxxxxxx>:
Hi,

I've conducted model-free analysis using the default protocol set up in the
GUI on a protein for which I have data recorded at 600 and 800 MHz. The
order parameters in s2.txt look very strange: regions I know are dynamic
have larger S2 values than those in the "structured" regions. My
understanding is that if the value is close to zero then it is highly
dynamic and if close to 1 => very rigid. My results are the inverse of what
I'm expecting. The calculation ran without any errors and I've checked the
input data for any obvious errors. Has anyone come across this before?

Another strange thing is that the regions I know to be structured (which
seem to have small S2 values) have very large associated errors. The N- and
C-termini of my protein however have higher S2 values but have smaller
associated errors.

Does any one know what could have happened?

Cheers,
Soumya

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