(a) Representation of the domain structure of full-length HMGB1. Beneath: structural models of full-length and tail-less HMGB1. These models were taken from the Protein Data Bank (PDB) entry 2YRQ: (b) m20 and (c) m5. In each structure, red regions represent Helix I, orange parts represent Helix II, and amber portions represents Helix III of Box A (residues 1–79). Yellow regions represent the linker residues 80–88. Meanwhile, cyan parts represent Helix I’, light blue regions represent Helix II’, and blue portions represent Helix III’ of Box B (residues 89–163). The navy-blue regions represent the linker between Box B and the acidic tail (residues 164–185). (d) Snapshots of the corresponding full-length structures of these models after MD simulation equilibration. (For interpretation of the references to color in this figure legend, the reader is referred to the web version of this article.)