Fig. 4: Model and results for the TRAP complex.
From: A computational toolbox for the assembly yield of complex and heterogeneous structures
a Coarse grained model for proteins M (purple), N (cyan) and O (orange) of the TRAP complex. Left, center and right depict the monomeric, the MN dimeric and the trimeric complexes, respectively. The total strengths of the three interfaces are pMN = 15.7, pMO = 1.9 and pNO = 6.7. b We show the concentrations of the three structures which include the building block M as a function of the interaction energy. The concentrations are normalized by the total input concentration of M, \({c}_{M}^{{{{{{{{\rm{tot}}}}}}}}}\), which was set equal to the input concentration of the other two monomers. Different colors correspond to different total concentrations \({c}_{M}^{{{{{{{{\rm{tot}}}}}}}}}\) (in units of d−3). When the temperature is appropriately tuned, we observe an intermediate state between the formation of only monomers and only trimers, corresponding to high yield of the dimer MN. c The relative concentrations of monomers M, dimers MN and MO and trimer MNO are reported for different values of DX (see main text) with fixed ϵ = 4 kBT and total concentration of monomers \({c}_{M}^{{{{{{{{\rm{tot}}}}}}}}}=1{0}^{-5}{d}^{-3}\). Source data are provided as a Source data file.
