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.

loading
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
bench05_CSNK1A1_CRBN__binary__unconstrained__seed1 binary unconstrained 1 0.8751 0.9097 0.899 —
bench05_CSNK1A1_CRBN__binary__unconstrained__seed2 binary unconstrained 2 0.8558 0.9071 0.863 —
bench05_CSNK1A1_CRBN__binary__unconstrained__seed3 binary unconstrained 3 0.7948 0.9160 0.861 —
bench05_CSNK1A1_CRBN__binary__unconstrained__seed4 binary unconstrained 4 0.8252 0.8416 0.883 —
bench05_CSNK1A1_CRBN__binary__unconstrained__seed5 binary unconstrained 5 0.8691 0.9076 0.888 —
bench05_CSNK1A1_CRBN__ternary__conditioned__seed1 ternary conditioned 1 0.9135 0.9850 0.926 -0.432
bench05_CSNK1A1_CRBN__ternary__conditioned__seed2 ternary conditioned 2 0.8839 0.9787 0.923 -0.473
bench05_CSNK1A1_CRBN__ternary__conditioned__seed3 ternary conditioned 3 0.9043 0.9831 0.927 -0.515
bench05_CSNK1A1_CRBN__ternary__conditioned__seed4 ternary conditioned 4 0.8980 0.9816 0.919 -0.427
bench05_CSNK1A1_CRBN__ternary__conditioned__seed5 ternary conditioned 5 0.9140 0.9845 0.930 -0.444
bench05_CSNK1A1_CRBN__ternary__unconstrained__seed1 ternary unconstrained 1 0.9139 0.9848 0.929 -0.207
bench05_CSNK1A1_CRBN__ternary__unconstrained__seed2 ternary unconstrained 2 0.8856 0.9789 0.928 -0.238
bench05_CSNK1A1_CRBN__ternary__unconstrained__seed3 ternary unconstrained 3 0.8758 0.9746 0.900 -0.262
bench05_CSNK1A1_CRBN__ternary__unconstrained__seed4 ternary unconstrained 4 0.9004 0.9821 0.922 -0.171
bench05_CSNK1A1_CRBN__ternary__unconstrained__seed5 ternary unconstrained 5 0.9136 0.9846 0.930 -0.166

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.