Confusion between Pool and selected ensembles

Linear (OLIGOMER), and non-linear (MIXTURE) analysis, singular value decomposition (SVDPLOT), addition of missing fragments (BUNCH, CORAL), analysis of flexible systems (EOM/RANCH & GAJOE), flexible refinement of high-resolution models (SREFLEX)
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caezuk
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Confusion between Pool and selected ensembles

#1 Post by caezuk » 2011.08.12 12:32

Dear all,

I am new to EOM and a bit confused with some of the terms used. I am familiar with how to use EOM but I cannot distinguish between what the "pool" means and the "selected ensemble. My protein in question has multiple domains seperated by multiple flexible linkers. The pool I'm given covers a broad area while the "selected" ensemble covers a smaller narrow area.


What does this mean??

Sorry for the ignorance!

thanks

Caezar

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AL
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Pool vs. selected ensemble

#2 Post by AL » 2011.08.23 14:57

caezuk wrote:I am familiar with how to use EOM but I cannot distinguish between what the "pool" means and the "selected ensemble".
The "pool" means all random structures that were generated by RANCH (e.g. 10000 structures). "Selected ensemble" means a subset that was chosen by GAJOE to fit your experimental data (e.g. 20 structures).
caezuk wrote:My protein in question has multiple domains seperated by multiple flexible linkers. The pool I'm given covers a broad area while the "selected" ensemble covers a smaller narrow area.
What does this mean??
This means that your protein has some structure - the narrower the R<sub>g</sub> distribution is - the more the protein is folded. A very broad R<sub>g</sub> distribution of the selected ensemble (close to the R<sub>g</sub> distribution of the whole ensemble) would mean that your protein is intrinsically unstructured.

caezuk
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Location: University of Birmingham, UK

#3 Post by caezuk » 2011.08.23 15:28

Thanks AL!

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