(* 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 = { cdhap[t], ce4p[t], cf6p[t], cfdp[t], cg1p[t], cg6p[t], cgap[t], cglcex[t], cpep[t], cpg[t], cpg2[t], cpg3[t], cpgp[t], cpyr[t], crib5p[t], cribu5p[t], csed7p[t], cxyl5p[t] }; initialValues = { cdhap[0] == 0.167, ce4p[0] == 0.098, cf6p[0] == 0.6, cfdp[0] == 0.272, cg1p[0] == 0.6525, cg6p[0] == 3.48, cgap[0] == 0.218, cglcex[0] == 0.0556, cpep[0] == 2.67, cpg[0] == 0.8075, cpg2[0] == 0.399, cpg3[0] == 2.131, cpgp[0] == 0.008, cpyr[0] == 2.67, crib5p[0] == 0.398, cribu5p[0] == 0.111, csed7p[0] == 0.276, cxyl5p[0] == 0.138 }; rates = { v\[LetterSpace]1, v\[LetterSpace]10, v\[LetterSpace]11, v\[LetterSpace]12, v\[LetterSpace]13, v\[LetterSpace]14, v\[LetterSpace]15, v\[LetterSpace]16, v\[LetterSpace]17, v\[LetterSpace]18, v\[LetterSpace]19, v\[LetterSpace]2, v\[LetterSpace]20, v\[LetterSpace]21, v\[LetterSpace]22, v\[LetterSpace]23, v\[LetterSpace]24, v\[LetterSpace]25, v\[LetterSpace]26, v\[LetterSpace]27, v\[LetterSpace]28, v\[LetterSpace]29, v\[LetterSpace]3, v\[LetterSpace]30, v\[LetterSpace]31, v\[LetterSpace]32, v\[LetterSpace]33, v\[LetterSpace]34, v\[LetterSpace]35, v\[LetterSpace]36, v\[LetterSpace]37, v\[LetterSpace]38, v\[LetterSpace]39, v\[LetterSpace]4, v\[LetterSpace]40, v\[LetterSpace]41, v\[LetterSpace]42, v\[LetterSpace]43, v\[LetterSpace]44, v\[LetterSpace]45, v\[LetterSpace]46, v\[LetterSpace]47, v\[LetterSpace]48, v\[LetterSpace]5, v\[LetterSpace]6, v\[LetterSpace]7, v\[LetterSpace]8, v\[LetterSpace]9 }; rateEquations = { v\[LetterSpace]1 -> (rmaxPTS*cglcex[t]*cpep[t])/((1 + cg6p[t]^nPTSg6p/KPTSg6p)*(KPTSa1 + KPTSa3*cglcex[t] + (KPTSa2*cpep[t])/cpyr[t] + (cglcex[t]*cpep[t])/cpyr[t])*cpyr[t]), v\[LetterSpace]10 -> (rmaxALDO*(cfdp[t] - (cdhap[t]*cgap[t])/kALDOeq))/(kALDOfdp + (kALDOgap*cdhap[t])/(kALDOeq*VALDOblf) + cfdp[t] + (kALDOdhap*cgap[t])/(kALDOeq*VALDOblf) + (cdhap[t]*cgap[t])/(kALDOeq*VALDOblf) + (cfdp[t]*cgap[t])/kALDOgapinh), v\[LetterSpace]11 -> (rmaxGAPDH*(cnad*cgap[t] - (cnadh*cpgp[t])/KGAPDHeq))/((cnad + KGAPDHnad*(1 + cnadh/KGAPDHnadh))*(cgap[t] + KGAPDHgap*(1 + cpgp[t]/KGAPDHpgp))), v\[LetterSpace]12 -> (rmaxTIS*(cdhap[t] - cgap[t]/kTISeq))/(cdhap[t] + kTISdhap*(1 + cgap[t]/kTISgap)), v\[LetterSpace]13 -> rmaxTrpSynth, v\[LetterSpace]14 -> (rmaxG3PDH*cdhap[t])/(KG3PDHdhap + cdhap[t]), v\[LetterSpace]15 -> (rmaxPGK*(-((catp*cpg3[t])/KPGKeq) + cadp*cpgp[t]))/((cadp + KPGKadp*(1 + catp/KPGKatp))*(KPGKpgp*(1 + cpg3[t]/KPGKpg3) + cpgp[t])), v\[LetterSpace]16 -> (rmaxSerSynth*cpg3[t])/(KSerSynthpg3 + cpg3[t]), v\[LetterSpace]17 -> (rmaxPGluMu*(-(cpg2[t]/KPGluMueq) + cpg3[t]))/(KPGluMupg3*(1 + cpg2[t]/KPGluMupg2) + cpg3[t]), v\[LetterSpace]18 -> (rmaxENO*(-(cpep[t]/KENOeq) + cpg2[t]))/(KENOpg2*(1 + cpep[t]/KENOpep) + cpg2[t]), v\[LetterSpace]19 -> (cadp*rmaxPK*cpep[t]*(1 + cpep[t]/KPKpep)^(-1 + nPK))/((cadp + KPKadp)*KPKpep*(LPK*((1 + catp/KPKatp)/(1 + camp/KPKamp + cfdp[t]/KPKfdp))^nPK + (1 + cpep[t]/KPKpep)^nPK)), v\[LetterSpace]2 -> (rmaxPGI*(-(cf6p[t]/KPGIeq) + cg6p[t]))/(cg6p[t] + KPGIg6p*(1 + cpg[t]/KPGIg6ppginh + cf6p[t]/(KPGIf6p*(1 + cpg[t]/KPGIf6ppginh)))), v\[LetterSpace]20 -> (rmaxpepCxylase*(1 + (cfdp[t]/KpepCxylasefdp)^npepCxylasefdp)*cpep[t])/(KpepCxylasepep + cpep[t]), v\[LetterSpace]21 -> (rmaxSynth1*cpep[t])/(KSynth1pep + cpep[t]), v\[LetterSpace]22 -> (rmaxSynth2*cpyr[t])/(KSynth2pyr + cpyr[t]), v\[LetterSpace]23 -> (rmaxDAHPS*ce4p[t]^nDAHPSe4p*cpep[t]^nDAHPSpep)/((KDAHPSe4p + ce4p[t]^nDAHPSe4p)*(KDAHPSpep + cpep[t]^nDAHPSpep)), v\[LetterSpace]24 -> (rmaxPDH*cpyr[t]^nPDH)/(KPDHpyr + cpyr[t]^nPDH), v\[LetterSpace]25 -> rmaxMetSynth, v\[LetterSpace]26 -> (cnadp*rmaxPGDH*cpg[t])/((cnadp + (1 + catp/KPGDHatpinh)*KPGDHnadp*(1 + cnadph/KPGDHnadphinh))*(KPGDHpg + cpg[t])), v\[LetterSpace]27 -> rmaxR5PI*(-(crib5p[t]/KR5PIeq) + cribu5p[t]), v\[LetterSpace]28 -> rmaxRu5P*(cribu5p[t] - cxyl5p[t]/KRu5Peq), v\[LetterSpace]29 -> (rmaxRPPK*crib5p[t])/(KRPPKrib5p + crib5p[t]), v\[LetterSpace]3 -> (rmaxPGM*(-(cg1p[t]/KPGMeq) + cg6p[t]))/(KPGMg6p*(1 + cg1p[t]/KPGMg1p) + cg6p[t]), v\[LetterSpace]30 -> (catp*rmaxG1PAT*(1 + (cfdp[t]/KG1PATfdp)^nG1PATfdp)*cg1p[t])/((catp + KG1PATatp)*(KG1PATg1p + cg1p[t])), v\[LetterSpace]31 -> mu*cg6p[t], v\[LetterSpace]32 -> mu*cf6p[t], v\[LetterSpace]33 -> mu*cfdp[t], v\[LetterSpace]34 -> mu*cgap[t], v\[LetterSpace]35 -> mu*cdhap[t], v\[LetterSpace]36 -> mu*cpgp[t], v\[LetterSpace]37 -> mu*cpg3[t], v\[LetterSpace]38 -> mu*cpg2[t], v\[LetterSpace]39 -> mu*cpep[t], v\[LetterSpace]4 -> (cnadp*rmaxG6PDH*cg6p[t])/((1 + cnadph/KG6PDHnadphg6pinh)*(cnadp + KG6PDHnadp*(1 + cnadph/KG6PDHnadphnadpinh))*(KG6PDHg6p + cg6p[t])), v\[LetterSpace]40 -> mu*cribu5p[t], v\[LetterSpace]41 -> mu*crib5p[t], v\[LetterSpace]42 -> mu*cxyl5p[t], v\[LetterSpace]43 -> mu*csed7p[t], v\[LetterSpace]44 -> mu*cpyr[t], v\[LetterSpace]45 -> mu*cpg[t], v\[LetterSpace]46 -> mu*ce4p[t], v\[LetterSpace]47 -> mu*cg1p[t], v\[LetterSpace]48 -> Dil*(cfeed - cglcex[t]), v\[LetterSpace]5 -> (catp*rmaxPFK*cf6p[t])/((catp + (1 + cadp/KPFKadpc)*KPFKatps)*(cf6p[t] + (KPFKf6ps*(1 + cadp/KPFKadpb + camp/KPFKampb + cpep[t]/KPFKpep))/(1 + cadp/KPFKadpa + camp/KPFKampa))*(1 + LPFK/(1 + ((1 + cadp/KPFKadpa + camp/KPFKampa)*cf6p[t])/(KPFKf6ps*(1 + cadp/KPFKadpb + camp/KPFKampb + cpep[t]/KPFKpep)))^nPFK)), v\[LetterSpace]6 -> rmaxTA*(-((ce4p[t]*cf6p[t])/KTAeq) + cgap[t]*csed7p[t]), v\[LetterSpace]7 -> rmaxTKa*(-((cgap[t]*csed7p[t])/KTKaeq) + crib5p[t]*cxyl5p[t]), v\[LetterSpace]8 -> rmaxTKb*(-((cf6p[t]*cgap[t])/KTKbeq) + ce4p[t]*cxyl5p[t]), v\[LetterSpace]9 -> rmaxMurSynth }; parameters = { Dil -> 2.78*^-05, KDAHPSe4p -> 0.035, KDAHPSpep -> 0.0053, KENOeq -> 6.73, KENOpep -> 0.135, KENOpg2 -> 0.1, KG1PATatp -> 4.42, KG1PATfdp -> 0.119, KG1PATg1p -> 3.2, KG3PDHdhap -> 1.0, KG6PDHg6p -> 14.4, KG6PDHnadp -> 0.0246, KG6PDHnadphg6pinh -> 6.43, KG6PDHnadphnadpinh -> 0.01, KGAPDHeq -> 0.63, KGAPDHgap -> 0.683, KGAPDHnad -> 0.252, KGAPDHnadh -> 1.09, KGAPDHpgp -> 1.04*^-05, KPDHpyr -> 1159.0, KPFKadpa -> 128.0, KPFKadpb -> 3.89, KPFKadpc -> 4.14, KPFKampa -> 19.1, KPFKampb -> 3.2, KPFKatps -> 0.123, KPFKf6ps -> 0.325, KPFKpep -> 3.26, KPGDHatpinh -> 208.0, KPGDHnadp -> 0.0506, KPGDHnadphinh -> 0.0138, KPGDHpg -> 37.5, KPGIeq -> 0.1725, KPGIf6p -> 0.266, KPGIf6ppginh -> 0.2, KPGIg6p -> 2.9, KPGIg6ppginh -> 0.2, KPGKadp -> 0.185, KPGKatp -> 0.653, KPGKeq -> 1934.4, KPGKpg3 -> 0.473, KPGKpgp -> 0.0468, KPGMeq -> 0.196, KPGMg1p -> 0.0136, KPGMg6p -> 1.038, KPGluMueq -> 0.188, KPGluMupg2 -> 0.369, KPGluMupg3 -> 0.2, KPKadp -> 0.26, KPKamp -> 0.2, KPKatp -> 22.5, KPKfdp -> 0.19, KPKpep -> 0.31, KPTSa1 -> 3082.3, KPTSa2 -> 0.01, KPTSa3 -> 245.3, KPTSg6p -> 2.15, KR5PIeq -> 4.0, KRPPKrib5p -> 0.1, KRu5Peq -> 1.4, KSerSynthpg3 -> 1.0, KSynth1pep -> 1.0, KSynth2pyr -> 1.0, KTAeq -> 1.05, KTKaeq -> 1.2, KTKbeq -> 10.0, KpepCxylasefdp -> 0.7, KpepCxylasepep -> 4.07, LPFK -> 5629067.0, LPK -> 1000.0, VALDOblf -> 2.0, cadp -> 0.595, camp -> 0.955, catp -> 4.27, cfeed -> 110.96, cnad -> 1.47, cnadh -> 0.1, cnadp -> 0.195, cnadph -> 0.062, kALDOdhap -> 0.088, kALDOeq -> 0.144, kALDOfdp -> 1.75, kALDOgap -> 0.088, kALDOgapinh -> 0.6, kTISdhap -> 2.8, kTISeq -> 1.39, kTISgap -> 0.3, mu -> 2.78*^-05, nDAHPSe4p -> 2.6, nDAHPSpep -> 2.2, nG1PATfdp -> 1.2, nPDH -> 3.68, nPFK -> 11.1, nPK -> 4.0, nPTSg6p -> 3.66, npepCxylasefdp -> 4.21, rmaxALDO -> 17.41464425, rmaxDAHPS -> 0.1079531227, rmaxENO -> 330.4476151, rmaxG1PAT -> 0.007525458026, rmaxG3PDH -> 0.01162042696, rmaxG6PDH -> 1.380196955, rmaxGAPDH -> 921.5942861, rmaxMetSynth -> 0.0022627, rmaxMurSynth -> 0.00043711, rmaxPDH -> 6.059531017, rmaxPFK -> 1840.584747, rmaxPGDH -> 16.23235977, rmaxPGI -> 650.9878687, rmaxPGK -> 3021.773771, rmaxPGM -> 0.8398242773, rmaxPGluMu -> 89.04965407, rmaxPK -> 0.06113150238, rmaxPTS -> 7829.78, rmaxR5PI -> 4.83841193, rmaxRPPK -> 0.01290045226, rmaxRu5P -> 6.739029475, rmaxSerSynth -> 0.025712107, rmaxSynth1 -> 0.01953897003, rmaxSynth2 -> 0.07361855055, rmaxTA -> 10.87164108, rmaxTIS -> 68.67474392, rmaxTKa -> 9.473384783, rmaxTKb -> 86.55855855, rmaxTrpSynth -> 0.001037, rmaxpepCxylase -> 0.1070205858, X -> 1.0, default\[LetterSpace]compartment -> 1.0 }; assignments = { }; events = { }; speciesAnnotations = { }; reactionAnnotations = { }; units = { {"time" -> "", "metabolite" -> "", "extent" -> ""} }; (* Time evolution *) odes = { cdhap'[t] == 1.0*v\[LetterSpace]10 -1.0*v\[LetterSpace]12 -1.0*v\[LetterSpace]35 -1.0*v\[LetterSpace]14, ce4p'[t] == 1.0*v\[LetterSpace]6 -1.0*v\[LetterSpace]23 -1.0*v\[LetterSpace]46 -1.0*v\[LetterSpace]8, cf6p'[t] == 1.0*v\[LetterSpace]2 +1.0*v\[LetterSpace]6 +1.0*v\[LetterSpace]8 -1.0*v\[LetterSpace]5 -2.0*v\[LetterSpace]9 -1.0*v\[LetterSpace]32, cfdp'[t] == 1.0*v\[LetterSpace]5 -1.0*v\[LetterSpace]10 -1.0*v\[LetterSpace]33, cg1p'[t] == 1.0*v\[LetterSpace]3 -1.0*v\[LetterSpace]47 -1.0*v\[LetterSpace]30, cg6p'[t] == 65.0*v\[LetterSpace]1 -1.0*v\[LetterSpace]2 -1.0*v\[LetterSpace]3 -1.0*v\[LetterSpace]31 -1.0*v\[LetterSpace]4, cgap'[t] == 1.0*v\[LetterSpace]10 +1.0*v\[LetterSpace]13 +1.0*v\[LetterSpace]12 +1.0*v\[LetterSpace]8 +1.0*v\[LetterSpace]7 -1.0*v\[LetterSpace]11 -1.0*v\[LetterSpace]6 -1.0*v\[LetterSpace]34, cglcex'[t] == 1.0*v\[LetterSpace]48 -1.0*v\[LetterSpace]1, cpep'[t] == 1.0*v\[LetterSpace]18 -1.0*v\[LetterSpace]23 -1.0*v\[LetterSpace]39 -65.0*v\[LetterSpace]1 -1.0*v\[LetterSpace]19 -1.0*v\[LetterSpace]20 -1.0*v\[LetterSpace]21, cpg'[t] == 1.0*v\[LetterSpace]4 -1.0*v\[LetterSpace]45 -1.0*v\[LetterSpace]26, cpg2'[t] == 1.0*v\[LetterSpace]17 -1.0*v\[LetterSpace]38 -1.0*v\[LetterSpace]18, cpg3'[t] == 1.0*v\[LetterSpace]15 -1.0*v\[LetterSpace]16 -1.0*v\[LetterSpace]17 -1.0*v\[LetterSpace]37, cpgp'[t] == 1.0*v\[LetterSpace]11 -1.0*v\[LetterSpace]15 -1.0*v\[LetterSpace]36, cpyr'[t] == 1.0*v\[LetterSpace]13 +1.0*v\[LetterSpace]25 +65.0*v\[LetterSpace]1 +1.0*v\[LetterSpace]19 -1.0*v\[LetterSpace]44 -1.0*v\[LetterSpace]24 -1.0*v\[LetterSpace]22, crib5p'[t] == 1.0*v\[LetterSpace]27 -1.0*v\[LetterSpace]29 -1.0*v\[LetterSpace]41 -1.0*v\[LetterSpace]7, cribu5p'[t] == 1.0*v\[LetterSpace]26 -1.0*v\[LetterSpace]40 -1.0*v\[LetterSpace]28 -1.0*v\[LetterSpace]27, csed7p'[t] == 1.0*v\[LetterSpace]7 -1.0*v\[LetterSpace]6 -1.0*v\[LetterSpace]43, cxyl5p'[t] == 1.0*v\[LetterSpace]28 -1.0*v\[LetterSpace]8 -1.0*v\[LetterSpace]42 -1.0*v\[LetterSpace]7 }; 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]}]