Figure 3.

Molecular basis of ClyA nanopore current blockades (a) Multiple views of the solvated ions accessible volume for ClyA nanopore with a trapped apo MBP. The color code for ClyA and MBP are grey and red respectively. Accessible volume of solvated ions inside the pore is shown in black. (b) Nanopore profile of solvated-ions accessible cross section and unit resistance. Results from holo and apo MBP simulations are shown in red and blue. The green line represents estimation for empty ClyA nanopore without trapped MBP. The colored shades are uncertainty estimated from the snapshots chosen periodically in the last 500 ns of the simulations. The unit of resistance is using unit resistance which is 100ρ. Here ρ is the physical parameter of charge density and assumed to be 1 in the estimation.