Figure 1

Geometric values that are evaluated and compared during the primary search. Atoms N^(N) and C_α^(N) are part of the first replaced amino acid; C_α^(C) and C^(C) are part of the last replaced amino acid on the protein side and are the corresponding atoms on the mimetic side. The x-y plane of the coordinate system is defined by the points N^(N), C_α^(N) and C_α^(C), where the x-axis connects N^(N) and C_α^(N). The main characteristic values are the distances x and y. Further characteristic values are β, the angle included by the lines connecting the atoms C_α^(N) and C_α^(C) and also C_α^(C) and C^(C), and γ, the dihedral angle between the N^(N) - C_α^(N) - C_α^(C) and C_α^(N) - C_α^(C) -C^(C) planes.