Disulphide bonds forming with several cysteines
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!
On 11/4/17 8:15 AM, Lenka wrote: > 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?
Impossible to say for sure without seeing your full inputs, but the script fragment looks OK to me. Most likely you're trying to make something a disulfide where the two Cys residues in the template are far away from each other, so Modeller is having a hard time satisfying the restraints.
Ben Webb, Modeller Caretaker
participants (2)
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Lenka
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Modeller Caretaker