Protein silver-moth-fern

Type

Unknown

Ref

RFdiff-MPNN-RINGonly_12

Collections

Sequence (100 AA)

MLELTVYNADRESEKYKELLAELERLKKLNKGAKVEEKEGLKVLTIEEDGKTTIIVLAEEKLSEEEIEKLVEEYKKKYEKELDKITIIDLESGEEKVIEI

Boltz2 Complex Iplddt

0.65%

Boltz2 Complex Pde

1.33

Boltz2 Complex Plddt

0.71%

Boltz2 Ipsae

0.01

Boltz2 Iptm

0.27

Boltz2 Lis

0.00

Boltz2 Min Ipsae

0.01

Boltz2 Pdockq

0.02

Boltz2 Pdockq2

0.01

Boltz2 Plddt

0.62%

Boltz2 Ptm

0.57

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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