Multi-scale simulations of the T cell receptor reveal its lipid interactions, dynamics and the arrangement of its cytoplasmic region
Fig 3
Interactions of ITAM tyrosines with the hydrophobic region of the membrane.
(A) Normalized number of contacts of ΞΆ and CD3 subunits with lipid acyl chains in membrane 1 (coloured by subunit) and membrane 2 (grey). The position of the ITAM tyrosines is indicated by arrows. For the normalization, the number of contacts of each residue was divided by the number of lipids in the membrane and the number of simulation frames. (B) Transmembrane helix tilt angle distribution of each subunit calculated from all simulations from membrane 1 (top row) and membrane 2 (bottom row). The black dotted lines represent zero tilt angle and the coloured dotted lines represent the initial tilt angles of the transmembrane helices of each subunit.