Figure 7.
In Silico Disassembly of Complexes Using the Interface Model
In silico disassembly proceeds by the route in which the least amount of interface area is broken. The crystal structures of the complexes undergoing typical (A) or atypical CID (B) are shown with their corresponding PDB numbers, and ball-and-stick representations (ball, monomer; stick, interface). Interface areas in Å2 (black) and number of salt bridges (red) are marked. Interfacial salt bridges broken in each in silico disassembly step are given above the reaction arrows. Gas phase disassembly routes are defined as typical dissociation of an unfolded monomer (T) or fragment (T∗). Atypical dissociation is represented as follows: formation of subcomplexes A(1), loss of compact monomers A(2), and symmetric charge partitioning between dissociation products A(3).
See also Figure S7.