# How to specify only certain cysteines to form disulfide bonds?

**URL:** <https://ask.bioexcel.eu/t/how-to-specify-only-certain-cysteines-to-form-disulfide-bonds/5641>\
**Category:** HADDOCK\
**Tags:** haddock\
**Created:** [April 29, 2025, 1:17pm UTC](https://ask.bioexcel.eu/t/how-to-specify-only-certain-cysteines-to-form-disulfide-bonds/5641 "2025-04-29T13:17:59Z")\
**Posts on this page:** 3\
**Page:** 1

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**Author:** ![Hoa\_Thanh\_Le](https://avatars.discourse-cdn.com/v4/letter/h/5f9b8f/32.png) [@Hoa\_Thanh\_Le](https://ask.bioexcel.eu/u/Hoa_Thanh_Le)\
**Post date:** [April 29, 2025, 1:17pm UTC](https://ask.bioexcel.eu/t/how-to-specify-only-certain-cysteines-to-form-disulfide-bonds/5641/1 "2025-04-29T13:17:59Z")

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Hello,

I have a PDB file where not all CYS residues form disulfide bonds. I learnt from [this question](https://ask.bioexcel.eu/t/how-to-deal-with-disulfite-bond-in-haddock3/5638) that HADDOCK3 will evaluate all CYS combinations for potential disulfide bonds. Is there a way to specify only certain cysteines to form disulfide bonds?

Thank you.  
Hoa

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**Author:** ![amjjbonvin](https://dub1.discourse-cdn.com/flex013/user_avatar/ask.bioexcel.eu/amjjbonvin/32/23_2.png) [@amjjbonvin](https://ask.bioexcel.eu/u/amjjbonvin)\
**Post date:** [April 29, 2025, 2:02pm UTC](https://ask.bioexcel.eu/t/how-to-specify-only-certain-cysteines-to-form-disulfide-bonds/5641/2 "2025-04-29T14:02:38Z")

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Not possible, but if they are not close in space this should not be an issue.

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**Author:** ![Hoa\_Thanh\_Le](https://avatars.discourse-cdn.com/v4/letter/h/5f9b8f/32.png) [@Hoa\_Thanh\_Le](https://ask.bioexcel.eu/u/Hoa_Thanh_Le)\
**Post date:** [April 29, 2025, 3:18pm UTC](https://ask.bioexcel.eu/t/how-to-specify-only-certain-cysteines-to-form-disulfide-bonds/5641/3 "2025-04-29T15:18:04Z")

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Dear Mr. Bonvin,

Thank you for your prompt reply. I hope that unwanted disulfide bonds won’t be an issue to the docking score.

Best regards,  
Hoa
