Figure 1.

Sequence (A), structure (B, C) and binding free energy decomposition analysis (D) of affibody Z(HER2:342) in the HER2/Z(HER2:342) complex. Residues highlighted in red (A, D) are 22 key residues for HER2 binding, while the less contribution and unfavorable residues were colored in black (A, D). Side chain (B) and backbone (C) of these 22 key residues were shown in stick in the structure, and the distances between the backbone carboxyl carbon and amino nitrogen of each gap were calculated and shown in panel C.