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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