Figure 6

Calculated averaged squared transition density in ChlA (black) and ChlB (red) localized on the (a) central Mg atom, the (b) four N atoms, the (c) O13₁ atom, the (d) O7₁ atom, the (e) inner carbon macrocycle, the (f) outer carbon macrocycle and fragments (i) 1, (g) 2, (h) 3 and (j) 4, during 1 ps NA-ESMD simulations.

The outer carbon macrocycle is defined as the total carbon macrocycle minus the inner carbon macrocycle.