The switch comprises two types of agents:
- a protomer P with two states f=0=inactive (favoured) or ccw (counter clockwise), f=1=active or cw (clockwise).
- and a regulator CheY-P that favours f=1.
To make a switch one takes 34 copies of P organised as a ring. CheY-Ps might bind any P, which means the ring can be in an astonishing approx. 10^20 different configurations (that is the number of species one would need in a traditional approach). The energy of the entire system is described by 3 different types of terms (in total 8 constants):
1. Ising term
E(P(f~1,x!1)P(y!1,f~0)) =an Ising penalty term for neighbours not being in the same conformation which will "spread conformation"
E(P(f~0,x!1)P(y!1,f~1))
>
E(P(f~0,x!1)P(y!1,f~0)) =
E(P(f~1,x!1)P(y!1,f~1))
E(P(f~0)) < E(P(f~1))saying that P prefers conformation 0 ("desir de nullite" as they say in french),
E(P(f~0,s!1),CheY(s!1)) > E(P(f~0,s!1),CheY(s!1))which says that when bound to CheY, P prefers conformation 1.
The simulation uses perturbations to control the amount of CheY-P, sending the entire ring in an homogeneously 0 or 1 conformation when it appears, and back to 0 when it disappears.
February 10th by Vincent Danos