Dear ChimeraX Team I am working on protein structure prediction using AlphaFold tools in ChimeraX (version 1.9 even 1.11). I am trying to model the interaction between two proteins (Tau and NDUFS3), but the predicted interaction does not match what was reported in the paper. I followed the same steps using AlphaFold in ChimeraX (tool--->structure Prediction--->AlphaFold) and past two sequences like (sequence tau, sequence NDUFS3) and then click predict, but I could not reproduce the same beta-sheet interaction. Could you please advise if there are specific settings or steps that might affect the prediction results? Thank you very much for your help. Best regards, Ehsan Khodadadi
Dear Ehsan, Next time you may want to use the address for ChimeraX, chimerax-users@cgl.ucsf.edu <mailto:chimerax-users@cgl.ucsf.edu> CC'd here, since you're using ChimeraX (not Chimera). You do not need to send this question, again, however, as I already CC'd that list. You may not be doing anything wrong -- it means that AlphaFold simply didn't predict the same thing as that paper. AlphaFold and other prediction methods are not 100% accurate, and remember also that proteins may exist in multiple conformations under different conditions, etc. Of course there are different AlphaFold settings you can try, but there is no magic recipe guaranteed to give you the best result in all situations. See the AlphaFold Options help: <https://rbvi.ucsf.edu/chimerax/docs/user/tools/alphafold.html#predict> Elaine ----- Elaine C. Meng, Ph.D. UCSF Chimera(X) team Resource for Biocomputing, Visualization, and Informatics Department of Pharmaceutical Chemistry University of California, San Francisco
On Mar 16, 2026, at 8:08 AM, Ehsaneh Khodadadi via Chimera-users <chimera-users@cgl.ucsf.edu> wrote:
Dear ChimeraX Team I am working on protein structure prediction using AlphaFold tools in ChimeraX (version 1.9 even 1.11). I am trying to model the interaction between two proteins (Tau and NDUFS3), but the predicted interaction does not match what was reported in the paper. I followed the same steps using AlphaFold in ChimeraX (tool--->structure Prediction--->AlphaFold) and past two sequences like (sequence tau, sequence NDUFS3) and then click predict, but I could not reproduce the same beta-sheet interaction. Could you please advise if there are specific settings or steps that might affect the prediction results? Thank you very much for your help. Best regards, Ehsan Khodadadi
_______________________________________________ Chimera-users mailing list -- chimera-users@cgl.ucsf.edu To unsubscribe send an email to chimera-users-leave@cgl.ucsf.edu Archives: https://mail.cgl.ucsf.edu/mailman/archives/list/chimera-users@cgl.ucsf.edu/
Dear Dr. Meng Thank you very much for your explanation and for adding the ChimeraX users list. I appreciate your help. If you happen to know of any comprehensive tutorials or example PDB cases for using AlphaFold within ChimeraX, I would be very grateful if you could share them with me. I have been searching but have not found a clear step-by-step example yet. Thank you again for your guidance. Best regards, Ehsaneh ________________________________ From: Elaine Meng <meng@cgl.ucsf.edu> Sent: Monday, March 16, 2026 9:43 AM To: Ehsaneh Khodadadi <ehsaneh@stanford.edu> Cc: chimera-users@cgl.ucsf.edu <chimera-users@cgl.ucsf.edu>; chimerax-users <chimerax-users@cgl.ucsf.edu> Subject: Re: [Chimera-users] Question about AlphaFold prediction in ChimeraX Dear Ehsan, Next time you may want to use the address for ChimeraX, chimerax-users@cgl.ucsf.edu <mailto:chimerax-users@cgl.ucsf.edu> CC'd here, since you're using ChimeraX (not Chimera). You do not need to send this question, again, however, as I already CC'd that list. You may not be doing anything wrong -- it means that AlphaFold simply didn't predict the same thing as that paper. AlphaFold and other prediction methods are not 100% accurate, and remember also that proteins may exist in multiple conformations under different conditions, etc. Of course there are different AlphaFold settings you can try, but there is no magic recipe guaranteed to give you the best result in all situations. See the AlphaFold Options help: <https://urldefense.com/v3/__https://rbvi.ucsf.edu/chimerax/docs/user/tools/a... > Elaine ----- Elaine C. Meng, Ph.D. UCSF Chimera(X) team Resource for Biocomputing, Visualization, and Informatics Department of Pharmaceutical Chemistry University of California, San Francisco
On Mar 16, 2026, at 8:08 AM, Ehsaneh Khodadadi via Chimera-users <chimera-users@cgl.ucsf.edu> wrote:
Dear ChimeraX Team I am working on protein structure prediction using AlphaFold tools in ChimeraX (version 1.9 even 1.11). I am trying to model the interaction between two proteins (Tau and NDUFS3), but the predicted interaction does not match what was reported in the paper. I followed the same steps using AlphaFold in ChimeraX (tool--->structure Prediction--->AlphaFold) and past two sequences like (sequence tau, sequence NDUFS3) and then click predict, but I could not reproduce the same beta-sheet interaction. Could you please advise if there are specific settings or steps that might affect the prediction results? Thank you very much for your help. Best regards, Ehsan Khodadadi
_______________________________________________ Chimera-users mailing list -- chimera-users@cgl.ucsf.edu To unsubscribe send an email to chimera-users-leave@cgl.ucsf.edu Archives: https://urldefense.com/v3/__https://mail.cgl.ucsf.edu/mailman/archives/list/...
participants (2)
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Ehsaneh Khodadadi -
Elaine Meng