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Re: [modeller_usage] Hydrophobic restraints question



 wrote:
Dear my modellers: I am modeling a chimeric protein from two
different proteins, which have known structures. There is no overlap
between them,so i oriented two domains before the modeling. But i got
an unreasonable model in which one domain so called 'lid' was just
beside the other catalytic domain,even under some distance restraints
to some reference residues i used. It is believed that hydrophobic
interaction drives two domains forming a closed conformation.
So,should i use something like hydrophobic restraints to the
modeling, and how to do this?

Modeller has no explicit hydrophobic restraints, and no explicit solvent (any solvation information will be taken implicitly from your templates). If you do not have a template structure containing the domain-domain interaction, you will have to approximate it yourself using distance restraints.

	Ben Webb, Modeller Caretaker
--
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