I've recently built a homology model and have two questions
that I can't find answers to in the documentation.
My template structure has hetero atoms in it. Can I 1) make these
carry over into the homology model and 2) use them as restraints in
building the homology model. (The hetero atoms are in contact with
the template structure just as I expect them to be with the
homology model. I would like this to be realized in the homology
This is more a request for advice on analyzing my homology model.
What is the best way to see if it makes sense? For instance,
I would like to know if the core is suspiciously populated with
energetically unfavorable residues, if one face of the protein is
too hydrophobic, implying that it ought to be in hydrophobic contact with
(in my case) the other half of the protein for which I cannot built a
homology model, etc.
I could do something like color hydrophobics and hydrophilics different
colors and visually inspect the model, but I'm interested in something
a little bit more convincing and principled. What would you do to
convince yourself that the protein could be physically realizable?
Thanks for any suggestions,