Fig. 5: Metadynamics simulation and Open structure of CP29.
From: A different perspective for nonphotochemical quenching in plant antenna complexes
a Definition of P1l and P1s. b Free energy surface in the space of the path CV s and P1l. The cryo-EM basin corresponds to small values of s, while the Open structure corresponds to values of s comprised between 5 and 6. c Comparison of the cryo-EM structure (PDB: 3JCU, dark blue) and the Open structure (cyan). d Alteration of the L1 pocket when moving from the cryo-EM structure (dark blue) to the Open structure (cyan). e Coulomb coupling and f overlap for the Lut–a612 pair. g Alteration of the L2 pocket when moving from the cryo-EM structure (magenta) to the Open structure (pink). h Coulomb coupling and i overlap for the Vio–a603 pair.
