Fig. 5: Structural prediction of the FD22 Fab-HIV Env SOSIP trimer complex with AlphaFold3.

a Predicted binding epitopes of FD22 Fab on the HIV Env SOSIP trimer of multiple FD22-sensitive viruses by AlphaFold3. Four important regions of gp120, the V2 Loop, Loop D, the CD4 BLP, and the V5 Loop, are highlighted in different colors, and the epitopes are circled by red lines. b Predicted structure of the FD22 Fab–B41 Env SOSIP trimer complex. Top and side views of the predicted FD22 Fab–B41 Env SOSIP trimer complex. The B41 Env SOSIP trimer is shown in gray, with the FD22 heavy chain in orchid and the light chain in powder blue. ModelSeeds ranking score: 0.75; additional parameters are provided in Supplementary Table S3. c Interaction interface between FD22 and the B41 Env SOSIP trimer. Predicted binding interface between the B41 Env SOSIP trimer and the complementarity-determining regions (CDRs) of FD22, with individual CDRs highlighted in distinct colors.