NOBBLE

Neosubstrate and Oligopeptide Binder Benchmarking for Ligase Engagement

running
jobs
83/100
pairs
6/6 br
RMSD
12.308
valid
1/3
Pinned E3 none GLUE none TARGET none PEPTIDE none

Pose

The predicted ternary in 3D. Receptor as cartoon, peptide as a tube coloured by per-residue pLDDT, ligand as ball-and-stick. Controls reuse BINMAN's viewer idiom.

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Nothing to show for this pair yet.

Presentation is BINMAN's, unchanged: the AlphaFold four-band pLDDT scale, a translucent gaussian surface over the polymer, and the ligand as sticks inside an emissive shell so it reads through the surface. The per-seed geometry below is the text alternative: every number the viewer can show is in the table.

Per-seed geometry

JobComplexConditioningSeed ipTM (receptor-peptide)ipTM (global) pLDDTAffinity
bench02_BRD4_VHL__binary__unconstrained__seed1 binary unconstrained 1 0.8855 0.9586 0.900 —
bench02_BRD4_VHL__binary__unconstrained__seed2 binary unconstrained 2 0.8340 0.9442 0.896 —
bench02_BRD4_VHL__binary__unconstrained__seed3 binary unconstrained 3 0.8627 0.9519 0.897 —
bench02_BRD4_VHL__binary__unconstrained__seed4 binary unconstrained 4 0.8429 0.9521 0.900 —
bench02_BRD4_VHL__binary__unconstrained__seed5 binary unconstrained 5 0.8313 0.9396 0.904 —
bench02_BRD4_VHL__ternary__conditioned__seed1 ternary conditioned 1 0.8950 0.9477 0.885 -0.780
bench02_BRD4_VHL__ternary__conditioned__seed2 ternary conditioned 2 0.8626 0.9503 0.894 -0.975
bench02_BRD4_VHL__ternary__conditioned__seed3 ternary conditioned 3 0.8161 0.9458 0.860 -0.645
bench02_BRD4_VHL__ternary__conditioned__seed4 ternary conditioned 4 0.7308 0.9449 0.875 -0.960
bench02_BRD4_VHL__ternary__conditioned__seed5 ternary conditioned 5 0.7883 0.9458 0.886 -0.717
bench02_BRD4_VHL__ternary__unconstrained__seed1 ternary unconstrained 1 0.9092 0.9470 0.873 -0.785
bench02_BRD4_VHL__ternary__unconstrained__seed2 ternary unconstrained 2 0.8863 0.9460 0.862 -0.786
bench02_BRD4_VHL__ternary__unconstrained__seed3 ternary unconstrained 3 0.8695 0.9521 0.855 -0.488
bench02_BRD4_VHL__ternary__unconstrained__seed4 ternary unconstrained 4 0.7937 0.9421 0.875 -0.764
bench02_BRD4_VHL__ternary__unconstrained__seed5 ternary unconstrained 5 0.7780 0.9454 0.866 -0.783

Affinity is recorded for the small-molecule chain only and is never a ranking key (spec 4.7). There is no protein-protein affinity path in Boltz-2, so no peptide affinity is reported anywhere in this application.