Computer simulation of energy migration in the C-phycocyanin of the blue-green algae Agmenellum Quadruplicatum

• Published in: Biophysical journal 1993-05, Vol.64 (5), p.1375-1384
• Main Authors: Demidov, Andrey A., Borisov, Alexander Yu
• Format: Article
• Language: English
• Subjects: Agmenellum quadruplicatum; Cyanophyta; Theoretical and Computational Biophysics
• ISSN: 0006-3495; 1542-0086
• DOI: 10.1016/S0006-3495(93)81503-0

Two methods for simulation of energy migration in the C-phycocyanin fragments of PBS were developed. Both methods are based on the statistical analysis of an excitation behavior in modeling complexes with a limited number (up to hundreds) of chromophores using the Monte-Carlo approach and calculation of migration rates for the system of linear balance equations. Energy migration rates were calculated in the case of C-phycocyanin of the blue-green algae Agmenellum quadruplicatum. The main channels of energy migration were determined in a monomer, trimer, hexamer, and in the rods consisting of 2–4 hexamers. The influence of the “screw” angle between two adjoining trimers of hexamer on the rates of energy migration and on its efficiencies in 1–4 hexamers was also estimated. The analysis was made for the average (random) and real orientation of chromophores in the C-phycocyanin. For both cases the optimal angle values were determined and the one for real C-phycocyanin structure was found to be very close (Δø ≤ 5°) to the optimal angle calculated.