How to go about refinement of multiple loops in a protein model?
Dear Modeller_usage members,
I have made 100 models of a ~260 residue protein (enzyme) using Modeller. The model has three loop regions which have significant deviation when compared with the template structure used for modelling. the first loop is due to an insertion in the model protein's sequence(i.e. this region of 3 residues is absent in the template sequence); second loop is a 16-residue long loop located at active site cleft (a region not resolved in template) ; third loop also doesn't have information from template but is a 4-residue loop.
I have the following doubts and questions: Do I need to refine all of these three loops? and should there be an order in which to refine each of these loops ( i mean, starting from N-terminus of the larger loop, etc)? Do small loops (1-5 residues) need to be refined only by the modeller script 'model-loop-tiny.py'? If yes, please explain, why? Or the regular 'loop.py' script is fine?
Thanks in advance, Vipul
On 04/20/2015 03:39 AM, vipul@nccs.res.in wrote: > I have the following doubts and questions: > Do I need to refine all of these three loops?
No, only if you think it'll be useful.
> and should there be an order > in which to refine each of these loops ( i mean, starting from N-terminus > of the larger loop, etc)?
Usually it's best to refine all three simultaneously.
> Do small loops (1-5 residues) need to be refined only by the modeller > script 'model-loop-tiny.py'? If yes, please explain, why? Or the regular > 'loop.py' script is fine?
Use the regular loop.py script.
Ben Webb, Modeller Caretaker
participants (2)
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Modeller Caretaker
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vipul@nccs.res.in