begin name kolmeisky1 end name begin reactions Bw1ststep {1.0}S0 + {1.0}$ATP = {1.0}S1 + {1.0}$Pi + {1.0}backstep1 Bw2ndstep {1.0}S1 = {1.0}S0 + {1.0}$ADP + {1.0}backstep2 Fw1ststep {1.0}S0 + {1.0}$ATP = {1.0}S1 + {1.0}$Pi + {1.0}fwdstep1 Fw2ndstep {1.0}S1 = {1.0}S0 + {1.0}$ADP + {1.0}fwdstep2 end reactions begin rate equations Bw1ststep = ATP*E^((d*Force*th3)/kT)*k3*S0[t] Bw2ndstep = E^((d*Force*th4)/kT)*k4*S1[t] Fw1ststep = (ATP*k1*S0[t])/E^((d*Force*th1)/kT) Fw2ndstep = (k2*S1[t])/E^((d*Force*th2)/kT) end rate equations begin parameters Force = 0.0 d = 36.0 kT = 4.1164 k1 = 0.7 k2 = 12.0 k3 = "5e-06" k4 = "6e-06" th1 = -0.01 th2 = 0.045 th3 = 0.58 th4 = 0.385 ADP = 0.0 ATP = 20.0 Pi = 0.0 compartment = "1e-15" end parameters begin initial conditions S0[0] = S0i S1[0] = S1i backstep1[0] = backstep1i backstep2[0] = backstep2i fwdstep1[0] = fwdstep1i fwdstep2[0] = fwdstep2i end initial conditions begin initial values S0i = 10.0 S1i = 0.0 backstep1i = 0.0 backstep2i = 0.0 fwdstep1i = 0.0 fwdstep2i = 0.0 end initial values begin assignment rules tau := ((ATP*k1)/E^((d*Force*th1)/kT) + k2/E^((d*Force*th2)/kT) + ATP*E^((d*Force*th3)/kT)*k3 + E^((d*Force*th4)/kT)*k4)/(ATP*E^(-((d*Force*th1)/kT) - (d*Force*th2)/kT)*k1*k2 + ATP*E^((d*Force*th3)/kT + (d*Force*th4)/kT)*k3*k4) Vave := (d*((-backstep1[t] - backstep2[t])/2 + (fwdstep1[t] + fwdstep2[t])/2))/(Stot*t) V := (d*((-Bw1ststep - Bw2ndstep)/2 + (Fw1ststep + Fw2ndstep)/2))/Stot Stot := S0[t] + S1[t] end assignment rules begin function definitions end function definitions begin events end events begin process annotations end process annotations begin species annotations ADP http://identifiers.org/kegg.compound/C00008 ADP http://identifiers.org/chebi/CHEBI:16761 ADP http://identifiers.org/pubchem.substance/3310 ATP http://identifiers.org/chebi/CHEBI:15422 ATP http://identifiers.org/kegg.compound/C00002 ATP http://identifiers.org/pubchem.substance/3304 Pi_ http://identifiers.org/chebi/CHEBI:18367 Pi_ http://identifiers.org/kegg.compound/C00009 S0 http://identifiers.org/go/GO:0031475 end species annotations begin units end units