Figure 5 | Scientific Reports

Figure 5

From: Computational affinity maturation of camelid single-domain intrabodies against the nonamyloid component of alpha-synuclein

Figure 5

Electrostatic potential surfaces for Model V of VHNAC1-NAC complex. (a) Electrostatic potential surfaces for Model V of the complex between VHNAC1 and NAC peptide (left) and for the NAC peptide by itself (right). (b) The electrostatic free energy (FE) of binding calculated using PBEQ for VHNAC1 and the K76A/M78T, K76E, and N77D mutants. (c) Electrostatic potential of VHNAC1 and the K76A/M78T, K76E, and N77D mutants. For the complex, the VHNAC1 is depicted as a solid surface while the NAC peptide is depicted as a wire-mesh. For the NAC peptide, the surface is shown as a solid surface. Blue indicates an electrostatic potential of 1 kT/e and red indicates an electrostatic potential of −1 kT/e.

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