Fig. 2
Molecular dynamics simulations show instability in the double row model. The energetic stability of double row mCldn15 model utilizing the X-1 interface was evaluated using molecular dynamics simulations. Top and side views of the initial and final configurations of the monomer a, 8 protomer strand b, and 16-protomer strand throughout the simulation c are shown. mCldn15 protomers are represented as cartoons with the α-helices colored in purple, β-strands in yellow, loops in light blue, and 3–10 helices in dark blue. Lipid bilayers are shown in the side view representation. d Time-course plot of the β-structure percentage for the monomer (blue), the 8-protomer strand (green), and 16-protomer strand (red) over the 100 ns molecular dynamics simulations
