Fig. 5: RBD-AIM enables the precise prediction of the Ab class, providing the relevant Ab-RBD interface in most cases.

a–c The crystal structures of the A (D1, PDB ID: 8WFH), E22₁ (T11, PDB ID: 8WFM), and F1-class (N1, PDB ID: 9JEB) Ab-RBD complexes were aligned with the Ab-RBD complexes predicted by RBD-AIM. RBD is shown in gray, the amino acid residues mutated in the omicron BA.1 variant are shown in green. The Ab fragments in crystal structures are colored with red (D1), cyan (T11), and violet (N1). Predicted Ab structures are shown in white. d The ACE2-RBD complex (PDB ID: 7WBP) with the highlighted ACE2-binding interface. e, f Representative E22₁ and E22₂-class binding modes. The crystal structures of the T11-RBD e and T15-RBD models f demonstrating the RBD-binding interfaces and orientation of heavy (H) and light (L) chains, are shown in blue and cyan, respectively.