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introduction of a Ca binding site



Dear Modeller users !

I am trying to model a protein with a Ca binding site, using 7 well aligned 
structural templates. Some of these structures contain a Ca atom in the 
homologue position. I read in the documentation that you could introduce 
hetero atoms and water using a syntax like ASFDGSFA/--WW--W- , but I could 
not get a hand on a concrete example.

Also, if I introduced such a site, would Modeller take the electrostatic 
interaction between the Ca and the side chain atoms into account in the 
simulated annealing part? Or would it just place the hetero atoms in the 
equivalent position?

Thank you very much for any suggestion,

Kind regards, 

Karsten



-- 
Karsten Suhre                  
Information Genomique & Structurale       
CNRS 
F-13402 Marseille