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[modeller_usage] Disulphide bonds forming with several cysteines
- To: <modeller_usage@listsrv.ucsf.edu>
- Subject: [modeller_usage] Disulphide bonds forming with several cysteines
- From: Lenka <Vellryba AT seznam.cz>
- Date: Sat, 04 Nov 2017 16:15:31 +0100 (CET)
Hello everybody,
I am having a problem with my model. I am new to Modeller but I googled and couldn't find an answer.
I am selecting the residues I want to form the disulphide bonds but there is a one cys that gets in a way and when I visualize the disulphides in Pymol, I can see three cysteines are bonded together. How can I prevent that?
Here are my patches:
class MyModel(automodel):
def special_patches(self, aln):
self.patch(residue_type='DISU', residues=(self.residues['76'], self.residues['241']))
self.patch(residue_type='DISU', residues=(self.residues['46'], self.residues['122']))
self.patch(residue_type='DISU', residues=(self.residues['188'], self.residues['206']))
self.patch(residue_type='DISU', residues=(self.residues['105'], self.residues['202']))
self.patch(residue_type='DISU', residues=(self.residues['265'], self.residues['228']))
self.patch(residue_type='DISU', residues=(self.residues['113'], self.residues['183']))
self.patch(residue_type='DISU', residues=(self.residues['127'], self.residues['171']))
Since Modeller only reads ATOM and HETEATOM records I dont really understand why is this happening.
Thank you for any help!