Fig. 5: The computed 2D IR spectra capture the same features as those in the experiments. | Communications Biology

Fig. 5: The computed 2D IR spectra capture the same features as those in the experiments.

From: Crowding alters F-actin secondary structure and hydration

Fig. 5

Amide I excitonic calculations are performed for a single-filament structure (left, PDB:6BNO) and 10 structures with site disorder (right, average of 10 renditions). As described in the text, the axes are shifted by 18 cm−1 to achieve an optimal match to the experimental spectrum. The solid black lines represent the diagonals of the 2D spectra. The dotted lines indicate the guidance of the frequency positions: 1630, 1650, and 1675 cm−1.

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