Viral Complex Structure Lab — AI Protein Assembly & Interface Analyzer

Viral Target & Mode

COR-S3

Viral Complex Assembly

Color Mapping

Structural Representation

Interface Cutoff 4.5 Å

Orbital Auto-Rotation Active

Loaded SARS-CoV-2 Spike + ACE2 multimer.

SARS-CoV-2 Spike : ACE2 Complex

AI-predicted heteropentamer complex: 3 viral spike protomers docked against host ACE2 dimer.

Interface & Epitope

Validated

Mean pLDDT 89.4 Confident prediction

Interface Area 1,780 Å² Buried contact patch

Interactions 42 H-bonds & salt bridges

ΔG Binding Est. -11.8 kcal/mol (Tight)

Key Interfacial Residues & Contacts

Chain 1	Chain 2	Dist (Å)	Type

About the 2,800+ Viral Proteome Initiative

Pre-Emptive Pandemic Defense

By computing high-confidence quaternary structures before novel zoonotic spillovers occur, structural biologists can map vulnerability epitopes, design broad neutralizing binders, and identify invariant catalytic pockets decades ahead of clinical emergence.

AlphaFold-Multimer & ESMFold

Complex predictions account for inter-subunit packing, evolutionary co-variation across host-pathogen interfaces, and per-residue predicted Local Distance Difference Test (pLDDT) confidence metrics (blue >90, cyan >70, yellow >50, orange <50).

Therapeutic & Vaccine Scaffolding

Evaluating buried surface area (BSA) and free energy (ΔG) of complex formation enables rapid screening of small-molecule inhibitors targeting essential replication machinery or mRNA vaccine stabilizing proline substitutions.

View Technical Model Specifications & Structural Coordinate Standards

Coordinates rendered in this workbench reflect AI multimer predictions aligned with standard PDB formatting. Atoms correspond to peptide alpha-carbons (CA) and representative side-chain centroids. Contact interfaces are detected by pairwise spatial distance thresholds ≤ 4.5 Å. Binding energy estimates use empirical contact weighting calibrated on high-resolution cryo-EM complexes.