Fig. 4: Contact maps of anchor regions 1 and 2 of DNAJB6b.
a–c Contact map of anchor region 1, i.e., interactions between helices II/III (residues 16 to 56, including the loop connecting them) of the J-domain and helix V (residues 96 to 104) of the G/F1 domain in the closed, open and extended states of full-length DNAJB6b and d ΔS/T DNAJB6b. The blue dotted lines indicate the HPD motif (residues 31–33). It can be seen that residue H31 forms a key interaction with residue F104. (caption continued on next page) e–h Contact map showing anchor region 2, i.e., interactions between residues 118 to 125 of the G/F2 domain and the N-terminal residues of the J-domain. The color bar represents the percentage of time the contact existed during the simulation. It can be noted that anchor region 2 for ΔS/T DNAJB6b is almost completely absent. i Snapshot showing F100 of helix V extending towards helices II/III of the J-domain and participating in multiple interactions with aliphatic and aromatic hydrophobic residues. Bar plot showing the average number of contacts of a specific type observed in figures (a–c), (e–g) for j anchor region 1 (AR1) and k anchor region 2 (AR2), respectively. See Methods for details.
