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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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
bench04_IKZF1_CRBN__binary__unconstrained__seed1 binary unconstrained 1 0.7222 0.8796 0.832 —
bench04_IKZF1_CRBN__binary__unconstrained__seed2 binary unconstrained 2 0.7932 0.9212 0.829 —
bench04_IKZF1_CRBN__binary__unconstrained__seed3 binary unconstrained 3 0.7912 0.8763 0.851 —
bench04_IKZF1_CRBN__binary__unconstrained__seed4 binary unconstrained 4 0.8232 0.9283 0.816 —
bench04_IKZF1_CRBN__binary__unconstrained__seed5 binary unconstrained 5 0.6070 0.7567 0.848 —
bench04_IKZF1_CRBN__ternary__conditioned__seed1 ternary conditioned 1 0.9336 0.9660 0.958 -0.524
bench04_IKZF1_CRBN__ternary__conditioned__seed2 ternary conditioned 2 0.9277 0.9642 0.958 -0.485
bench04_IKZF1_CRBN__ternary__conditioned__seed3 ternary conditioned 3 0.9293 0.9664 0.958 -0.521
bench04_IKZF1_CRBN__ternary__conditioned__seed4 ternary conditioned 4 0.9259 0.9673 0.953 -0.491
bench04_IKZF1_CRBN__ternary__conditioned__seed5 ternary conditioned 5 0.9248 0.9621 0.958 -0.521
bench04_IKZF1_CRBN__ternary__unconstrained__seed1 ternary unconstrained 1 0.9324 0.9654 0.958 -0.291
bench04_IKZF1_CRBN__ternary__unconstrained__seed2 ternary unconstrained 2 0.9283 0.9637 0.959 -0.247
bench04_IKZF1_CRBN__ternary__unconstrained__seed3 ternary unconstrained 3 0.9265 0.9640 0.958 -0.293
bench04_IKZF1_CRBN__ternary__unconstrained__seed4 ternary unconstrained 4 0.9226 0.9656 0.953 -0.258
bench04_IKZF1_CRBN__ternary__unconstrained__seed5 ternary unconstrained 5 0.9229 0.9609 0.959 -0.266

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.