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[modeller_usage] Disulphide bonds forming with several cysteines
To : <modeller_usage@salilab.org modeller_usageATsalilab.org >
Subject : [modeller_usage] Disulphide bonds forming with several cysteines
From : Lenka <Vellryba@seznam.cz VellrybaATseznam.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!