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
bench03_BRD4_CRBN__binary__unconstrained__seed1 binary unconstrained 1 0.8441 0.9003 0.905 —
bench03_BRD4_CRBN__binary__unconstrained__seed2 binary unconstrained 2 0.7944 0.8663 0.882 —
bench03_BRD4_CRBN__binary__unconstrained__seed3 binary unconstrained 3 0.8369 0.9307 0.873 —
bench03_BRD4_CRBN__binary__unconstrained__seed4 binary unconstrained 4 0.8293 0.9107 0.872 —
bench03_BRD4_CRBN__binary__unconstrained__seed5 binary unconstrained 5 0.8221 0.9039 0.892 —
bench03_BRD4_CRBN__ternary__unconstrained__seed1 ternary unconstrained 1 0.9298 0.9687 0.788 -0.596
bench03_BRD4_CRBN__ternary__unconstrained__seed2 ternary unconstrained 2 0.8619 0.9449 0.795 -0.564
bench03_BRD4_CRBN__ternary__unconstrained__seed3 ternary unconstrained 3 0.9090 0.9489 0.791 -0.620
bench03_BRD4_CRBN__ternary__unconstrained__seed4 ternary unconstrained 4 0.7966 0.9163 0.811 -0.504
bench03_BRD4_CRBN__ternary__unconstrained__seed5 ternary unconstrained 5 0.9277 0.9598 0.815 -0.632

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.