Resolving the conformational ensemble of a membrane protein by integrating small-angle scattering with AlphaFold

doi:10.1371/journal.pcbi.1013187

Resolving the conformational ensemble of a membrane protein by integrating small-angle scattering with AlphaFold

Fig 5

The predicted states are consistent with free energy landscapes from MD simulations.

Projections of the AF-generated conformations with pLDDT onto the deprotonated (A) and protonated (B) energy landscape of GLIC, with predicted closed and open conformations marked in red and blue respectively. For the protonated energy landscape (B) the free energy well on the left (where tIC1) corresponds to closed conformations of GLIC while the free energy well on the right (where tIC1) corresponds to open GLIC conformations [26].

doi: https://doi.org/10.1371/journal.pcbi.1013187.g005