#kolmeisky1

FIX: ADP ATP Pi_

#reactions
Bw_1st_step:
 {1.0}S0 + {1.0}ATP = {1.0}S1 + {1.0}Pi_ + {1.0}back_step1
  k_3 * S0 * ATP * exp(th_3 * Force * d / kT)
Bw_2nd_step:
 {1.0}S1 = {1.0}S0 + {1.0}ADP + {1.0}back_step2
  k_4 * S1 * exp(th_4 * Force * d / kT)
Fw_1st_step:
 {1.0}S0 + {1.0}ATP = {1.0}S1 + {1.0}Pi_ + {1.0}fwd_step1
  k_1 * S0 * ATP * exp(-th_1 * Force * d / kT)
Fw_2nd_step:
 {1.0}S1 = {1.0}S0 + {1.0}ADP + {1.0}fwd_step2
  k_2 * S1 * exp(-th_2 * Force * d / kT)


#parameters
Force = 0.0
d = 36.0
kT = 4.1164
k_1 = 0.7
k_2 = 12.0
k_3 = 5e-06
k_4 = 6e-06
th_1 = -0.01
th_2 = 0.045
th_3 = 0.58
th_4 = 0.385
ADP = 0.0
ATP = 20.0
Pi_ = 0.0
compartment_ = 1e-15


#initial values
S0 = 10.0
S1 = 0.0
back_step1 = 0.0
back_step2 = 0.0
fwd_step1 = 0.0
fwd_step2 = 0.0


#assignment rules
!F tau = (k_1 * ATP * exp(-th_1 * Force * d / kT) + k_2 * exp(-th_2 * Force * d / kT) + k_3 * ATP * exp(th_3 * Force * d / kT) + k_4 * exp(th_4 * Force * d / kT)) / (k_1 * ATP * exp(-th_1 * Force * d / kT) * k_2 * exp(-th_2 * Force * d / kT) + k_3 * ATP * exp(th_3 * Force * d / kT) * k_4 * exp(th_4 * Force * d / kT))
!F V_ave = d * ((fwd_step1 + fwd_step2) / 2.0 - (back_step1 + back_step2) / 2.0) / (S_tot * time)
!F V = d * ((Fw_1st_step + Fw_2nd_step) / 2.0 - (Bw_1st_step + Bw_2nd_step) / 2.0) / S_tot
!F S_tot = S0 + S1