Figure 4.

Depictions of the anticalin:CTLA-4 complex unbinding energy landscape as a function of molecular pulling geometry. (A) Energy landscape depiction where anchor point residues are represented as compass directions. Under a constrained pulling geometry, the complex is forced to traverse different unbinding pathways across the energy landscape. These different paths give rise to energy barriers with diverse heights and shapes. (B) 1D depiction of unbinding energy barrier heights and positions calculated using the DHS model for each pulling geometry (see Table 1). (C) Anchor points on the anticalin colored based on mechanical stability of the complex pulled through that position. The most and least mechanostable anchor points on the anticalin are residues 60 (red) and 143 (dark blue), respectively.