Contacts and Distance Restrictions Option

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mpetgrav
Posts: 1
Joined: Tue May 18, 2021 4:22 pm

Contacts and Distance Restrictions Option

Post by mpetgrav »

Hi,
I was wondering, for ITASSER residue/atom distance restrictions and contacts option (when submitting your sequence), why is it that not all of my generated models had these restrictions in place? For instance, I asked for a disulfide bond between two SG atoms, and contacts between these two residues and only one model had this disulfide bond

Thank you!
xiaogenz
Posts: 70
Joined: Sun Apr 25, 2021 12:02 am

Re: Contacts and Distance Restrictions Option

Post by xiaogenz »

I think it is possible that the I-TASSER restraints has a stronger weight than your provided restraints. So the simulation forced the model folding according to the I-TASSER force filed.
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