(* Generated by JWS Online *) (* This is an experimental feature of JWS Online. Please report any mistakes.*) (* Note that the following notable SBML entities or features are not supported in notebook outputyet: *) (* Events *) (* Constraints *) (* Units and UnitDefinitions *) (* AlgebraicRules *) (* conversionFactors *) variables = { Act\[LetterSpace]C\[LetterSpace]Cyt[t], Act\[LetterSpace]C\[LetterSpace]Nuc[t], Ca\[LetterSpace]Cyt[t], Ca\[LetterSpace]Nuc[t], Inact\[LetterSpace]C\[LetterSpace]Cyt[t], Inact\[LetterSpace]C\[LetterSpace]Nuc[t], NFAT\[LetterSpace]Act\[LetterSpace]C\[LetterSpace]Cyt[t], NFAT\[LetterSpace]Act\[LetterSpace]C\[LetterSpace]Nuc[t], NFAT\[LetterSpace]Cyt[t], NFAT\[LetterSpace]Nuc[t], NFAT\[LetterSpace]Pi\[LetterSpace]Act\[LetterSpace]C\[LetterSpace]Cyt[t], NFAT\[LetterSpace]Pi\[LetterSpace]Act\[LetterSpace]C\[LetterSpace]Nuc[t], NFAT\[LetterSpace]Pi\[LetterSpace]Cyt[t], NFAT\[LetterSpace]Pi\[LetterSpace]Nuc[t] }; initialValues = { Act\[LetterSpace]C\[LetterSpace]Cyt[0] == 9.1*^-06, Act\[LetterSpace]C\[LetterSpace]Nuc[0] == 5.05*^-05, Ca\[LetterSpace]Cyt[0] == 1.0, Ca\[LetterSpace]Nuc[0] == 1.0, Inact\[LetterSpace]C\[LetterSpace]Cyt[0] == 0.0097108, Inact\[LetterSpace]C\[LetterSpace]Nuc[0] == 0.049198, NFAT\[LetterSpace]Act\[LetterSpace]C\[LetterSpace]Cyt[0] == 6.1*^-06, NFAT\[LetterSpace]Act\[LetterSpace]C\[LetterSpace]Nuc[0] == 0.0009477, NFAT\[LetterSpace]Cyt[0] == 0.0001101, NFAT\[LetterSpace]Nuc[0] == 0.0005219, NFAT\[LetterSpace]Pi\[LetterSpace]Act\[LetterSpace]C\[LetterSpace]Cyt[0] == 2.2*^-06, NFAT\[LetterSpace]Pi\[LetterSpace]Act\[LetterSpace]C\[LetterSpace]Nuc[0] == 2.5*^-06, NFAT\[LetterSpace]Pi\[LetterSpace]Cyt[0] == 0.0094397, NFAT\[LetterSpace]Pi\[LetterSpace]Nuc[0] == 0.0002272 }; rates = { R1, R10, R11, R12, R13, R14, R15, R16, R17, R2, R3, R4, R5, R6, R7, R8, R9 }; rateEquations = { R1 -> nucleus*(-(k2*NFAT\[LetterSpace]Nuc[t]) + k1*NFAT\[LetterSpace]Pi\[LetterSpace]Nuc[t]), R10 -> cytosol*k3*NFAT\[LetterSpace]Pi\[LetterSpace]Cyt[t] - k4*nucleus*NFAT\[LetterSpace]Pi\[LetterSpace]Nuc[t], R11 -> cytosol*(k15*NFAT\[LetterSpace]Act\[LetterSpace]C\[LetterSpace]Cyt[t] - k16*Act\[LetterSpace]C\[LetterSpace]Cyt[t]*NFAT\[LetterSpace]Cyt[t]), R12 -> cytosol*(-(k2*NFAT\[LetterSpace]Cyt[t]) + k1*NFAT\[LetterSpace]Pi\[LetterSpace]Cyt[t]), R13 -> cytosol*(-(k20*Act\[LetterSpace]C\[LetterSpace]Cyt[t]) + k19*Ca\[LetterSpace]Cyt[t]^3*Inact\[LetterSpace]C\[LetterSpace]Cyt[t]), R14 -> nucleus*(-(k20*Act\[LetterSpace]C\[LetterSpace]Nuc[t]) + k19*Ca\[LetterSpace]Nuc[t]^3*Inact\[LetterSpace]C\[LetterSpace]Nuc[t]), R15 -> cytosol*k5*Inact\[LetterSpace]C\[LetterSpace]Cyt[t] - k6*nucleus*Inact\[LetterSpace]C\[LetterSpace]Nuc[t], R16 -> cytosol*k21*Ca\[LetterSpace]Cyt[t] - k22*nucleus*Ca\[LetterSpace]Nuc[t], R17 -> cytosol*k7*NFAT\[LetterSpace]Pi\[LetterSpace]Act\[LetterSpace]C\[LetterSpace]Cyt[t] - k8*nucleus*NFAT\[LetterSpace]Pi\[LetterSpace]Act\[LetterSpace]C\[LetterSpace]Nuc[t], R2 -> nucleus*(-(k15*NFAT\[LetterSpace]Act\[LetterSpace]C\[LetterSpace]Nuc[t]) + k16*Act\[LetterSpace]C\[LetterSpace]Nuc[t]*NFAT\[LetterSpace]Nuc[t]), R3 -> -(cytosol*k17*NFAT\[LetterSpace]Cyt[t]) + k18*nucleus*NFAT\[LetterSpace]Nuc[t], R4 -> -(cytosol*k5*Act\[LetterSpace]C\[LetterSpace]Cyt[t]) + k6*nucleus*Act\[LetterSpace]C\[LetterSpace]Nuc[t], R5 -> nucleus*(k14*NFAT\[LetterSpace]Act\[LetterSpace]C\[LetterSpace]Nuc[t] - k13*NFAT\[LetterSpace]Pi\[LetterSpace]Act\[LetterSpace]C\[LetterSpace]Nuc[t]), R6 -> nucleus*(k12*NFAT\[LetterSpace]Pi\[LetterSpace]Act\[LetterSpace]C\[LetterSpace]Nuc[t] - k11*Act\[LetterSpace]C\[LetterSpace]Nuc[t]*NFAT\[LetterSpace]Pi\[LetterSpace]Nuc[t]), R7 -> -(cytosol*k9*NFAT\[LetterSpace]Act\[LetterSpace]C\[LetterSpace]Cyt[t]) + k10*nucleus*NFAT\[LetterSpace]Act\[LetterSpace]C\[LetterSpace]Nuc[t], R8 -> cytosol*(k14*NFAT\[LetterSpace]Act\[LetterSpace]C\[LetterSpace]Cyt[t] - k13*NFAT\[LetterSpace]Pi\[LetterSpace]Act\[LetterSpace]C\[LetterSpace]Cyt[t]), R9 -> cytosol*(k12*NFAT\[LetterSpace]Pi\[LetterSpace]Act\[LetterSpace]C\[LetterSpace]Cyt[t] - k11*Act\[LetterSpace]C\[LetterSpace]Cyt[t]*NFAT\[LetterSpace]Pi\[LetterSpace]Cyt[t]) }; parameters = { k1 -> 2.56*^-05, k10 -> 0.005, k11 -> 6.63, k12 -> 0.00168, k13 -> 0.5, k14 -> 0.00256, k15 -> 0.00168, k16 -> 6.63, k17 -> 0.0015, k18 -> 0.00096, k19 -> 1.0, k2 -> 0.00256, k20 -> 1.0, k21 -> 0.21, k22 -> 0.5, k3 -> 0.005, k4 -> 0.5, k5 -> 0.0019, k6 -> 0.00092, k7 -> 0.005, k8 -> 0.5, k9 -> 0.5, cytosol -> 2.69*^-13, nucleus -> 1.13*^-13 }; assignments = { }; events = { }; speciesAnnotations = { Act\[LetterSpace]C\[LetterSpace]Cyt[t]->"http://identifiers.org/uniprot/P16298", Act\[LetterSpace]C\[LetterSpace]Cyt[t]->"http://identifiers.org/go/GO:0005955", Act\[LetterSpace]C\[LetterSpace]Nuc[t]->"http://identifiers.org/uniprot/P16298", Act\[LetterSpace]C\[LetterSpace]Nuc[t]->"http://identifiers.org/go/GO:0005955", Ca\[LetterSpace]Cyt[t]->"http://identifiers.org/kegg.compound/C00076", Ca\[LetterSpace]Cyt[t]->"http://identifiers.org/chebi/CHEBI:29108", Ca\[LetterSpace]Nuc[t]->"http://identifiers.org/kegg.compound/C00076", Ca\[LetterSpace]Nuc[t]->"http://identifiers.org/chebi/CHEBI:29108", Inact\[LetterSpace]C\[LetterSpace]Cyt[t]->"http://identifiers.org/uniprot/P16298", Inact\[LetterSpace]C\[LetterSpace]Cyt[t]->"http://identifiers.org/go/GO:0005955", Inact\[LetterSpace]C\[LetterSpace]Nuc[t]->"http://identifiers.org/uniprot/P16298", Inact\[LetterSpace]C\[LetterSpace]Nuc[t]->"http://identifiers.org/go/GO:0005955" }; reactionAnnotations = { R1->"http://identifiers.org/kegg.reaction/R00164", R1->"http://identifiers.org/go/GO:0004723", R1->"http://identifiers.org/go/GO:0004722", R1->"http://identifiers.org/ec-code/3.1.3.16", R10->"http://identifiers.org/go/GO:0051533", R12->"http://identifiers.org/go/GO:0004723", R12->"http://identifiers.org/go/GO:0004722", R12->"http://identifiers.org/ec-code/3.1.3.16", R13->"http://identifiers.org/go/GO:0005509", R14->"http://identifiers.org/go/GO:0005509", R16->"http://identifiers.org/go/GO:0006816", R17->"http://identifiers.org/go/GO:0051533", R3->"http://identifiers.org/go/GO:0051532", R7->"http://identifiers.org/go/GO:0051532" }; units = { {"time" -> "", "metabolite" -> "", "extent" -> ""} }; (* Time evolution *) odes = { Act\[LetterSpace]C\[LetterSpace]Cyt'[t] == 1.0*R11 +1.0*R12 +1.0*R13 +1.0*R4 +1.0*R9 -1.0*R12, Act\[LetterSpace]C\[LetterSpace]Nuc'[t] == 1.0*R1 +1.0*R14 +1.0*R6 -1.0*R1 -1.0*R2 -1.0*R4, Ca\[LetterSpace]Cyt'[t] == -3.0*R13 -1.0*R16, Ca\[LetterSpace]Nuc'[t] == 1.0*R16 -3.0*R14, Inact\[LetterSpace]C\[LetterSpace]Cyt'[t] == -1.0*R13 -1.0*R15, Inact\[LetterSpace]C\[LetterSpace]Nuc'[t] == 1.0*R15 -1.0*R14, NFAT\[LetterSpace]Act\[LetterSpace]C\[LetterSpace]Cyt'[t] == 1.0*R7 -1.0*R11 -1.0*R8, NFAT\[LetterSpace]Act\[LetterSpace]C\[LetterSpace]Nuc'[t] == 1.0*R2 -1.0*R5 -1.0*R7, NFAT\[LetterSpace]Cyt'[t] == 1.0*R11 +1.0*R12 +1.0*R3 , NFAT\[LetterSpace]Nuc'[t] == 1.0*R1 -1.0*R2 -1.0*R3, NFAT\[LetterSpace]Pi\[LetterSpace]Act\[LetterSpace]C\[LetterSpace]Cyt'[t] == 1.0*R8 -1.0*R17 -1.0*R9, NFAT\[LetterSpace]Pi\[LetterSpace]Act\[LetterSpace]C\[LetterSpace]Nuc'[t] == 1.0*R17 +1.0*R5 -1.0*R6, NFAT\[LetterSpace]Pi\[LetterSpace]Cyt'[t] == 1.0*R9 -1.0*R10 -1.0*R12, NFAT\[LetterSpace]Pi\[LetterSpace]Nuc'[t] == 1.0*R10 +1.0*R6 -1.0*R1 }; timeCourse = NDSolve[Join[odes, initialValues]//.rateEquations//.assignments//.parameters, variables, {t, 0, 100}]; (* Steady-state solution initialized with result of time evolution *) findRootEquations = odes /.D[_[t],t]->0; findRootVariables = Partition[Flatten[{#, #/.timeCourse/.t->100} &/@variables],2]; steadyStateVariables = FindRoot[findRootEquations//.rateEquations//.assignments//.parameters, findRootVariables, MaxIterations->100] fluxes = #//.assignments//.parameters/.steadyStateVariables&/@rateEquations (* Plot the time evolution of the variables *) plotTable=Table[Plot[variables[[i]]/.parameters/.timeCourse,{t,0,100},PlotLegends->variables[[i]],PlotRange->Full],{i,Length[variables]}]