Fig 8. Details of the contacts between N-terminus and loop region in AL_3×∞ (run1).

(A) Representative plot of contact distances Arg5-Val24 for two adjacent layers as a function of simulation time. (B) Initial structure with dense packing of residues Arg5, Asp7, and Phe4 in adjacent layers; the distance between two Asp7 residues in adjacent chains is 3.85 Å. (C) Representative snapshot structure with the Asp7-Asp7 distance increased to 12.6 Å.