Skip to content

chain order affects pTM/pLDDT #349

@sahakyanhk

Description

@sahakyanhk

It seems the chain order used for structure prediction affects the confidence metrics. Usually, the effect is subtle, and the difference in the predicted structures is negligible, but sometimes it is noticeable, as in the example below. This is an artificial peptide-RNA complex; both confidence and structure are different depending on chain order.

Image

>peptide
YNFTDFMRQLLQ
>rna
CAUAAGCCUAGCGCUUCUGG

If predicted as rna/peptide
pTM = 0.53
Mean pLDDT = 0.85

if peptide/rna
pTM = 0.60
Mean pLDDT = 0.90

I used esmfold2-2026-05 with 10 loops for this example

Metadata

Metadata

Assignees

No one assigned

    Labels

    No labels
    No labels

    Type

    No type
    No fields configured for issues without a type.

    Projects

    No projects

    Milestone

    No milestone

    Relationships

    None yet

    Development

    No branches or pull requests

    Issue actions