Figure S2.
Interactions between AA headgroup and R65hASIC3in atomistic simulations. (A) Time-resolved occupancy of AA at three sites in two 500 ns repeats of a backmapped atomistic simulations. Dark blue indicates presence of AA, i.e., when the carboxylic acid carbon of AA is within 4.5 Å of the R65hASIC3 sidechain. (B) Distances between the carboxylic acid carbon of AA and ζ-carbon of R65hASIC3 over time of initially bound AA molecules at hASIC3 subunits in two 500 ns atomistic simulation repeats.

Interactions between AA headgroup and R65 hASIC3 in atomistic simulations. (A) Time-resolved occupancy of AA at three sites in two 500 ns repeats of a backmapped atomistic simulations. Dark blue indicates presence of AA, i.e., when the carboxylic acid carbon of AA is within 4.5 Å of the R65hASIC3 sidechain. (B) Distances between the carboxylic acid carbon of AA and ζ-carbon of R65hASIC3 over time of initially bound AA molecules at hASIC3 subunits in two 500 ns atomistic simulation repeats.

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