Figure 6.
Conformational space that enables near-attack distances increasing the propensity for succinimide formation. a) The structural orientation of the reactive (1a and 2a) and non-reactive (2b and 3) side-chain conformations, characterized by ψ & χ, for an aspartic acid residue shown in ball and stick representation. b) Free-energy surface in the space of ψ & χ dihedral angles and c) the corresponding distance between Cγ and the n + 1 amide nitrogen calculated from metadynamics simulation of Ace-GGNAG-Nme pentapeptide.