Figure 5. PIP 2 reduced anticorrelated... | Rockefeller University Press

Figure 5.

PIP2reduced anticorrelated motions and increased fourfold symmetry in Kir2.2 protein. (a) Schematic diagrams describing DCC coefficient calculation between diagonal distance fluctuations of reference residues (I177 and M181), which form the HBC gate, and all the residues in the same pair (i.e., Intra pairs A/C to A/C and B/D to B/D, in green) or in the other pair (i.e., Inter pairs A/C to B/D and B/D to A/C, in pink). Star symbols indicate computing cross correlation. (b) DCC coefficients (± SEM) with reference residue I177 were averaged over all trajectories with PIP2 (bottom) or without PIP2 (top) simulations. (c) Overlaid scatter plots between Intra DCC coefficients versus Inter DCC coefficients from panel b with linear regression fits of the simulations without PIP2 (gray) or with PIP2 (blue). (d and e) Sum of averaged diagonal distance difference (d) and sum of averaged angle deviation from 90° (e) of all residues except flexible parts (see details in Materials and methods) in individual simulations with or without PIP2. A parametric unpaired t test was performed with n = 5 for simulations with PIP2 and n = 4 for without PIP2. For the simulations without PIP2, the calculations were made either for the whole 1 μs or only the last 400 ns of each trajectory, as noted. Refer to the image caption for details.

PIP ₂ reduced anticorrelated motions and increased fourfold symmetry in Kir2.2 protein. (a) Schematic diagrams describing DCC coefficient calculation between diagonal distance fluctuations of reference residues (I177 and M181), which form the HBC gate, and all the residues in the same pair (i.e., Intra pairs A/C to A/C and B/D to B/D, in green) or in the other pair (i.e., Inter pairs A/C to B/D and B/D to A/C, in pink). Star symbols indicate computing cross correlation. (b) DCC coefficients (± SEM) with reference residue I177 were averaged over all trajectories with PIP₂ (bottom) or without PIP₂ (top) simulations. (c) Overlaid scatter plots between Intra DCC coefficients versus Inter DCC coefficients from panel b with linear regression fits of the simulations without PIP₂ (gray) or with PIP₂ (blue). (d and e) Sum of averaged diagonal distance difference (d) and sum of averaged angle deviation from 90° (e) of all residues except flexible parts (see details in Materials and methods) in individual simulations with or without PIP₂. A parametric unpaired t test was performed with n = 5 for simulations with PIP₂ and n = 4 for without PIP₂. For the simulations without PIP₂, the calculations were made either for the whole 1 μs or only the last 400 ns of each trajectory, as noted.