Dear Modellers,<br><br>I&#39;m trying to apply restrains to the interactions of cavity residues with ATP. Apart from electrostatic interactions between atom pairs, a Tyr residue is always packed parallel with the Adenine ring of ATP, as shown in this pic:<br>
<br><a href="http://personalpages.manchester.ac.uk/postgrad/Thomas.Evangelidis/aromatic_packing.png">http://personalpages.manchester.ac.uk/postgrad/Thomas.Evangelidis/aromatic_packing.png</a><br><br>I have labelled the atoms to help you. I&#39;m wondering what would be the best stereochemical restrains to describe this interaction? A list with Modeller&#39;s stereochemical restrains can be found here:<br>
<br><a href="http://salilab.org/modeller/manual/node196.html">http://salilab.org/modeller/manual/node196.html</a><br><br>Or would an Energy-based restrain describe that interactions better? Any suggestions are welcome.<br>
<br>thanks,<br>Tom<br>