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Re: [modeller_usage] modelling from 2 templates, one for major part of sequence, 1 for insertion region



On 3/21/11 1:30 PM, Irene Newhouse wrote:
I'm trying to model a protein that looks like a member of CIS_IPPS with
reasonable homlogy for a major portion of the sequence, but with a
significant insertion region that has weak homology to a portion of a
different protein. I tried to build with the .py & .ali files listed
below, with the result that the CIS_IPPS regions of the protein were
built just fine, but the insertion region was nothing but a random coil.
When I extracted the insertion region & modeled it based on the
extracted portion of the other protein, I was able to model something
reasonable. I could use a GUI to meld the two models together, but I'd
rather have recommendations as to how to get modeller to do the build
for me - I think it'd be a lot better starting structure than the result
of a hand-meld.

For at least part of the insertion region, you have aligned your sequence with both templates. Unless the templates are structurally very similar in this region, Modeller is going to have a hard time building a model that looks similar to your second template (it will do its best to make a model that is imformed by both templates). You might be better off modifying your alignment so as to not align the sequence with the first template in the region where it is aligned with the second.

	Ben Webb, Modeller Caretaker
--
             http://www.salilab.org/modeller/
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