Figure 3 | Scientific Reports

Figure 3

From: Non-RVD mutations that enhance the dynamics of the TAL repeat array along the superhelical axis improve TALEN genome editing efficacy

Figure 3

Inter-repeat hydrogen bonds among the TAL-repeats.

(a) Snapshots of the CT- and VT-TALE models in the extended forms sampled at 50 ns in the MD trajectories. The structures are viewed from the C-terminal side of the superhelical structure and its 90-degree rotated position. For the four TAL-repeats in the centre of the array, the side chains of the residues positioned at 4 and 5 in each repeat of CT- and VT-TALEs are drawn as ball and stick representations. Residue at position 4, a non-RVD residue, in each TAL-repeat is marked in purple. For details of the modelling and simulation, see the Supplementary Information. (b) Distances between HE21/HE22 in Q-5 and OD1/OD2 in D-4 or OE1/OE2 in E-4 in the structures in the MD trajectory (corresponding to Trial 1 in Supplementary Fig. S4); every atomic pair is considered. (c) Schematic representation of the inter-repeat hydrogen bonds. Helices a and b and RVD are presented as magenta boxes, green boxes and cyan lines, respectively. The 4th and 5th amino acids in each TAL-repeat are represented by short lines. Hydrogen bonds are indicated by orange lines. In VT-TALE, two of the inter-repeat hydrogen bonds are not formed in a unit with four TAL-repeats.

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