Extended Data Fig. 6: Predicted biophysical properties of designed channels.
From: Bottom-up design of Ca2+ channels from defined selectivity filter geometry
a-d, AlphaFold3-predicted binding of CalC6_3 and CalC4_24 to Ca2+ (a and b) and to Mg2+ (c and d), respectively. The models were colored based on the confidence level (pLDDT) of the prediction results, with the color gradient shown on the bottom right. e and f, calculated electrostatic potential of the protein surfaces and the ion permeation pathways of CalC6_3 (e) and CalC4_24 (f). For clarity only the opposing chains of the designed channels are shown. The ion permeation pathways are calculated using MoleOnline. The electrostatic potential is calculated using the Adaptive Poisson-Boltzmann Solver (APBS) in PyMOL.
