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. 2022 Oct 3;13:5661. doi: 10.1038/s41467-022-33004-6

Fig. 4. Crystal structure of the dIG14 dimer.

Fig. 4

a SEC-MALS analysis of dIG14 estimates a molecular weight corresponding to a dimer (Mw monomer = 9.7 kDa). b Crystal structure of the homodimer interface formed by antiparallel pairing between β-strands 1 and 6 enabled by flipping out of the C-terminal β-strand; the monomer core becomes more accessible and the interface is primarily formed by hydrophobic contacts (right inset). PDB accession code of the dIG14 crystal structure: 7SKP. c dIG14 design model (green) in comparison with the crystal structure (gray, chain B). Sidechain packing interactions in the non-terminal edge β-strands were well recapitulated in the crystal structure (left inset). A shift in β-strand pairing register observed in the crystal structure is highlighted by the two colored arrows (right inset). d The AlphaFold monomer prediction (left) superimposes well with the design model (Cα-RMSD 1.0 Å); while AlphaFold-Multimer (right) correctly predicts the monomer subunits in the crystal structure (Cα-RMSD 0.6 Å, except for the C-terminal disordered β-strand).