Disulfide bonds HADDOCK2.4

HADDOCK
1

Hallo,

In my protein I have many disulfide bonds and I would like to refine the structure using HADDOCK2.4. Therefore I would like to ask you if HADDOCK will treat these bonds as disulfide bonds by itself or do I have to rename the CYS which build the disulfide bonds for example to CYF.

Thank you for your time,
Marija

2

HADDOCK will detect those automatically provided the S atoms are close enough in space.

CYF would be a CYS without the sulphur hydrogen, used for coordinating ions in some case (e.g. zinc finger).

3

Thank you very much.