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Fig. S1. The two-dimensional structure of Plasmodium falciparum Man4-GPI.

Fig. S2. The interaction of ligands with triacyl lipid chains.

Fig. S3. The interaction of ligands with diacyl lipid chains.

Fig. S4. RMSD Plot of ligand-bound and ligand-unbound complexes including control.

Fig. S5. The distances of liganded and unliganded differences for monomers were calculated before and after MD simulations.

Fig. S6. RMSF Plots of ligand-bound and ligand-unbound complexes including control.

Fig. S7. The eigenvalues for first ten eigenvectors.

Fig. S8. The mode and direction of the TLR2 subfamily.

Fig. S9. The motion modes of representative structures of first two eigenvectors.

Table S1. The distances of significant ligand binding regions in TLR2 subfamily monomers before and after MD simulations.

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