Fig. 2: Contact maps and snapshots of the three different states of DNAJB6b. | Nature Communications

Fig. 2: Contact maps and snapshots of the three different states of DNAJB6b.

From: Tertiary structure and conformational dynamics of the anti-amyloidogenic chaperone DNAJB6b at atomistic resolution

Fig. 2: Contact maps and snapshots of the three different states of DNAJB6b.

a–c Contact maps of the closed, open, and extended states of DNAJB6b. The color bar corresponds to the percentage of time the contact existed during the simulation. The contact map is divided into four sections according to the domains in DNAJB6b, and the division is shown by sky-blue horizontal and vertical lines. The J-domain contains four helices shown by vertical gray bars. The horizontal gray bar shows helix V of the G/F1 domain. The contacts enclosed in the dashed rectangles indicate the anchor regions 1 and 2 (AR1 and AR2). d–f Contact maps of the G/F + S/T domains for the closed, open and extended state of DNAJB6b. The 1D contact distribution below the 2D contact map shows the average number of G/F to S/T interdomain contacts. The vertical dashed lines in the 1D contact distribution are the location of the Phe (F) residues. The horizontal and vertical lines separate the G/F domain (G/F1 + G/F2) and the S/T domain. g–i Snapshots showing the molecular structure of DNAJB6b in the closed, open, and extended state. Two-headed arrows summarize the interactions between the domains as observed in the contact maps (a–c).

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