Figure 3
Hydrogen bonding between neighboring chains and their structural flexibility from 250 to 300 ns. (a) Number of H-bonds between chains 1 and 2 and chains 2 and 3 for the unliganded, Gin, C10, and C14 simulations are colored in black, blue, brown, and maroon between chains 1 and 2, respectively, and green, orange, red, and cyan between chains 2 and 3, respectively. (b) Numbers of H-bonds between chains 3 and 4 and chains 4 and 5 for the unliganded, Gin, C10, and C14 simulations are colored in black, blue, brown, and maroon for chains 3 and 4, respectively, and green, orange, red, and cyan for chains 4 and 5, respectively. (c, d) RMSFs for the 6 chains of unliganded and C14 simulations are colored in black, blue, brown, maroon, green, and red for chains 1 through 6, respectively.
