Protein azure-otter-thorn

Type

Unknown

Ref

RFdiff-MPNN-E2steer_02

Collections

Sequence (100 AA)

REEVLRLRLRVRIRNGEVEVELEPGAGEGEIEIVRERLLSERREGEELFRERELETAAEFEEEDLMGGLGGILRRLGIELAEREKGKEIELEAEFTVRRL

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-E2steer

Pipeline: RFdiffusion + SolubleMPNN + Rosetta InterfaceAnalyzer + Boltz-2 validation
Target PDBs: full RBX-1 from 10 conformations (all partner chains stripped)
ppi.hotspot_res: I44, W87, R91 (E2 critical) + R24, R26, R27, R30, R32 (IDR anchors)
GP-UCB parameters: binder_length [60, 80, 100, 120], noise_scale [0.0, 0.25, 0.5], mpnn_temp [0.05, 0.1, 0.2], target_region [both], hotspot_subset [all, e2_critical, e2_plus_idr]
Cycles: 3 per target (Cycle 1: Latin hypercube 3 configs; Cycles 2-3: UCB-selected)
Fitness: 20% f_e2 + 20% f_essential + 25% f_ddG + 15% f_dSASA + 10% f_hbonds + 5% f_contacts + 5% f_plddt
Result: avg dSASA=2706Å², 11 designs with both W87+R91 contact, avg ipTM=0.680