Protein gentle-bear-crystal

Type

Unknown

Ref

RFdiff-MPNN-RINGonly_15

Collections

Sequence (60 AA)

TEARVDATFAALVRLYRADPEACEAFLRREFPEEVAEELMRRLRAGDLEGAYALLREYFA

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-RINGonly

Pipeline: RFdiffusion + SolubleMPNN + Rosetta InterfaceAnalyzer + Boltz-2 validation
Target PDBs: RING domain only (res 40-108) from 8 conformations; IDR completely removed
ppi.hotspot_res: I44, W87, R91
Hard gate: e2_essential_contacted == 0 → F=0 (must contact W87 or R91)
Post-design: graft_binder_onto_full_rbx1() via RING Cα superposition (RMSD <0.2Å)
GP-UCB parameters: binder_length [40, 60, 80, 100], noise_scale [0.0, 0.25, 0.5], mpnn_temp [0.05, 0.1, 0.2], hotspot_subset [e2_critical]
Cycles: 3 per target, 8 conformations
Fitness: same as E2steer but with hard E2 gate eliminating non-functional designs
Result: 32 designs with both W87+R91 contact, avg ipTM=0.729, avg Cys=2.9