Protein solid-bee-crystal

Type

Unknown

Ref

RFdiff-MPNN-v2_03

Collections

Sequence (120 AA)

MKKVKRFGVVVVSPSDTEEKVKEIVKKVAEKLTEMILKEVVEGEKTEEELKKMREEAEEVRKTMLDGPEETEEFEWSDELSDEKLYEQLKEKLFEQLLKLAEEARKRGLNIEVELEFTVE

Structure prediction unavailable

It might take a few hours to appear.

No experimental data

This protein hasn't been validated in the lab yet.

This protein was designed using YCRFdiff-MPNN-v2

Pipeline: RFdiffusion + SolubleMPNN + Rosetta InterfaceAnalyzer (no Boltz-2 validation in-loop)
Target PDBs: full RBX-1 from 4 structures (1LDJ, 3DPL, 4F52, 4P5O) with multi-segment contigs for crystal structure gaps
ppi.hotspot_res: none (free exploration)
No hard gate on E2 contacts
GP-UCB parameters: binder_length [40, 60, 80, 100, 120], noise_scale [0.0, 0.25, 0.5, 1.0], mpnn_temp [0.05, 0.1, 0.2, 0.3]; 5 cycles per target
Fitness: 30% f_ddG + 25% f_hotspot + 15% f_dSASA + 15% f_hbonds + 15% f_contacts
Result: strongest binding (avg ddG=-130 REU, dSASA=3189Å², ipTM=0.854), avg Cys=0.1