Dear Sirs and Mesdames,
I am fitting my data with M61 model with relax. There is a somehow loosely
defined canonical site in the protein, for which we know approximately the
exchange parameters. However, there are more residues showing relaxation
dispersion profiles and I would like to know if these residues could also
belong to the canonical site.
To address this problem, I have implemented a simple jackknifing procedure
which precedes the fitting. Unfortunately, I very often encounter a
situation where unrealistically high phi_ex values are fitted, resulting in
very low exchange rates. I would like to restrict the phi_ex/k_ex values
(either to a constant or to an interval of values) and compare the fit
results manually.
However, I was not able to find in the Relax tutorial if such a function
exists for R1rho relaxation dispersion models (I am using scripts to run
Relax).
Furthermore, I have encountered sometimes a situation where a flat line is
fit to a data clearly showing relaxation dispersion, which is higher that
the set INSIGNIFICANCE (I assume phi_ex is set to 0). Is there any
explanation for that?
Thank you very much in advance and I apologize if my formulation was not
very clear (I am a biologist and just relatively recently got into this
stuff).
vilius
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Re: Fixing phi_ex or k_ex on R1rho fits