While trying to use Ensembler pipeline to model Human Serum Albumin, I realized disulfide bond information from original PDB files are not retained after model generation step.
Ensembler output structure after modelling step (1AO6_A_ensembler_model.pdb) doesn't have the SSBOND section that specifies which cysteines are disulfide bonded. This section exists the original PDB file downloaded from RCSB (1ao6.pdb).
How can we adjust ensembler to keep disulfide bridge information?
While trying to use Ensembler pipeline to model Human Serum Albumin, I realized disulfide bond information from original PDB files are not retained after model generation step.
Here is what I have run:
I included the original PDB file of PDB ID: 1AO6 and output of ensembler modelling step as examples: 20170530_reporting_ensembler_ssissue.zip
Ensembler output structure after modelling step (
1AO6_A_ensembler_model.pdb
) doesn't have theSSBOND
section that specifies which cysteines are disulfide bonded. This section exists the original PDB file downloaded from RCSB (1ao6.pdb
).How can we adjust ensembler to keep disulfide bridge information?