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Caption : (a-c) the rmsd of the protein backbone and ca2+ relative to the protein during the md simulation. (d) the system temperature during the md simulation. the curve is the average of three independent simulated temperature curves.

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Caption : the curves of the interaction energy between each ca2+ and its corresponding binding pocket along with its error bars, as a function of simulation time. all results were obtained through three independent simulations.

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Caption : the stability of the all system about the 3 μs md simulation under (a) w/o thz and (b) 54.65 thz are measured by the system temperature and (b) the accessible contact area of c2ab. in the whole simulation process, the temperature is in a relatively stable. figure (c) is the vibration spectrum of tip3p water under different md conditions. at 42.5 thz, it shows the strong absorption of thz wave by water, while at 54.65 thz, it is not significant. 

File Name : figure s4 .pdf

Caption : the rmsd of the protein under (a) w/o thz, (c) 54.65 thz and the rmsd of the ca2+ in the pocket relative to the pocket (b) w/o thz, (d) 54.65 thz. for (b) and (d), the rmsd at 1 to 2 nm means that ca2+ have been out of the pocket.

File Name : figure s5 .pdf

Caption : the curves of bending and torsion angles of region c2ab from three independent simulations and their corresponding error ranges vary with simulation time. due to the conformational changes induced by thz waves, significant fluctuations appeared in the later stage of the simulation, reflected by an increase in the length of the error bars compared with the earlier simulation.