(* 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 = { ASA[t], AspP[t], Hser[t], Ile[t], Lys[t], PHser[t], TS1[t], Thr[t] }; initialValues = { ASA[0] == 0.0, AspP[0] == 0.0, Hser[0] == 0.0, Ile[0] == 0.0, Lys[0] == 0.0, PHser[0] == 0.0, TS1[0] == 7.4, Thr[0] == 0.0 }; rates = { Vak1, Vak2, VakI, VakII, Vasadh, Vcgs, Vdhdps1, Vdhdps2, Vhsdh1, Vhsdh2, Vhsk, VileTRNA, VlysKR, VlysTRNA, Vtd, Vtha, VthrTRNA, Vts1 }; rateEquations = { Vak1 -> (AK1*c1*(Vak1\[LetterSpace]AK1\[LetterSpace]kforward\[LetterSpace]app\[LetterSpace]exp - Vak1\[LetterSpace]AK1\[LetterSpace]kreverse\[LetterSpace]app\[LetterSpace]exp*AspP[t]))/(1 + (((1 + AdoMet/Vak1\[LetterSpace]AK1\[LetterSpace]AdoMet\[LetterSpace]Ka\[LetterSpace]app\[LetterSpace]exp)*Lys[t])/Vak1\[LetterSpace]AK1\[LetterSpace]Lys\[LetterSpace]Ki\[LetterSpace]app\[LetterSpace]exp)^Vak1\[LetterSpace]AK1\[LetterSpace]nH\[LetterSpace]exp), Vak2 -> (AK2*c1*(Vak2\[LetterSpace]AK2\[LetterSpace]kforward\[LetterSpace]app\[LetterSpace]exp - Vak2\[LetterSpace]AK2\[LetterSpace]kreverse\[LetterSpace]app\[LetterSpace]exp*AspP[t]))/(1 + (Lys[t]/Vak2\[LetterSpace]AK2\[LetterSpace]Lys\[LetterSpace]Ki\[LetterSpace]app\[LetterSpace]exp)^Vak2\[LetterSpace]AK2\[LetterSpace]nH\[LetterSpace]exp), VakI -> (AKHSDHI*c1*(VakI\[LetterSpace]AKI\[LetterSpace]kforward\[LetterSpace]app\[LetterSpace]exp - VakI\[LetterSpace]AKI\[LetterSpace]kreverse\[LetterSpace]app\[LetterSpace]exp*AspP[t]))/(1 + (Thr[t]/VakI\[LetterSpace]AKI\[LetterSpace]Thr\[LetterSpace]Ki\[LetterSpace]app\[LetterSpace]exp)^VakI\[LetterSpace]AKI\[LetterSpace]nH\[LetterSpace]exp), VakII -> (AKHSDHII*c1*(VakII\[LetterSpace]AKII\[LetterSpace]kforward\[LetterSpace]app\[LetterSpace]exp - VakII\[LetterSpace]AKII\[LetterSpace]kreverse\[LetterSpace]app\[LetterSpace]exp*AspP[t]))/(1 + (Thr[t]/VakII\[LetterSpace]AKII\[LetterSpace]Thr\[LetterSpace]Ki\[LetterSpace]app\[LetterSpace]exp)^VakII\[LetterSpace]AKII\[LetterSpace]nH\[LetterSpace]exp), Vasadh -> ASADH*c1*(-(Vasadh\[LetterSpace]ASADH\[LetterSpace]kreverse\[LetterSpace]app\[LetterSpace]exp*ASA[t]) + Vasadh\[LetterSpace]ASADH\[LetterSpace]kforward\[LetterSpace]app\[LetterSpace]exp*AspP[t]), Vcgs -> (c1*CGS*Vcgs\[LetterSpace]CGS\[LetterSpace]kcat\[LetterSpace]exp*PHser[t])/((1 + Vcgs\[LetterSpace]CGS\[LetterSpace]Cys\[LetterSpace]Km\[LetterSpace]exp/Cys)*(((1 + Phosphate/Vcgs\[LetterSpace]CGS\[LetterSpace]Phosphate\[LetterSpace]Ki\[LetterSpace]exp)*Vcgs\[LetterSpace]CGS\[LetterSpace]Phser\[LetterSpace]Km\[LetterSpace]exp)/(1 + Vcgs\[LetterSpace]CGS\[LetterSpace]Cys\[LetterSpace]Km\[LetterSpace]exp/Cys) + PHser[t])), Vdhdps1 -> (c1*DHDPS1*Vdhdps1\[LetterSpace]DHDPS1\[LetterSpace]k\[LetterSpace]app\[LetterSpace]exp*ASA[t])/(1 + (Lys[t]/Vdhdps1\[LetterSpace]DHDPS1\[LetterSpace]Lys\[LetterSpace]Ki\[LetterSpace]app\[LetterSpace]exp)^Vdhdps1\[LetterSpace]DHDPS1\[LetterSpace]nH\[LetterSpace]exp), Vdhdps2 -> (c1*DHDPS2*Vdhdps2\[LetterSpace]DHDPS2\[LetterSpace]k\[LetterSpace]app\[LetterSpace]exp*ASA[t])/(1 + (Lys[t]/Vdhdps2\[LetterSpace]DHDPS2\[LetterSpace]Lys\[LetterSpace]Ki\[LetterSpace]app\[LetterSpace]exp)^Vdhdps2\[LetterSpace]DHDPS2\[LetterSpace]nH\[LetterSpace]exp), Vhsdh1 -> AKHSDHI*c1*Vhsdh1\[LetterSpace]HSDHI\[LetterSpace]kforward\[LetterSpace]app\[LetterSpace]exp*ASA[t]*(Vhsdh1\[LetterSpace]HSDHI\[LetterSpace]Thr\[LetterSpace]relative\[LetterSpace]residual\[LetterSpace]activity\[LetterSpace]app\[LetterSpace]exp + Vhsdh1\[LetterSpace]HSDHI\[LetterSpace]Thr\[LetterSpace]relative\[LetterSpace]inhibition\[LetterSpace]app\[LetterSpace]exp/(1 + Thr[t]/Vhsdh1\[LetterSpace]HSDHI\[LetterSpace]Thr\[LetterSpace]Ki\[LetterSpace]app\[LetterSpace]exp)), Vhsdh2 -> AKHSDHII*c1*Vhsdh2\[LetterSpace]HSDHII\[LetterSpace]kforward\[LetterSpace]app\[LetterSpace]exp*ASA[t]*(Vhsdh2\[LetterSpace]HSDHII\[LetterSpace]Thr\[LetterSpace]relative\[LetterSpace]residual\[LetterSpace]activity\[LetterSpace]app\[LetterSpace]exp + Vhsdh2\[LetterSpace]HSDHII\[LetterSpace]Thr\[LetterSpace]relative\[LetterSpace]inhibition\[LetterSpace]app\[LetterSpace]exp/(1 + Thr[t]/Vhsdh2\[LetterSpace]HSDHII\[LetterSpace]Thr\[LetterSpace]Ki\[LetterSpace]app\[LetterSpace]exp)), Vhsk -> (c1*HSK*Vhsk\[LetterSpace]HSK\[LetterSpace]kcat\[LetterSpace]app\[LetterSpace]exp*Hser[t])/(Vhsk\[LetterSpace]HSK\[LetterSpace]Hser\[LetterSpace]app\[LetterSpace]exp + Hser[t]), VileTRNA -> (c1*V\[LetterSpace]Ile\[LetterSpace]RS*Ile[t])/(VileTRNA\[LetterSpace]Ile\[LetterSpace]tRNAS\[LetterSpace]Ile\[LetterSpace]Km + Ile[t]), VlysKR -> (c1*LKR*VlysKR\[LetterSpace]LKR\[LetterSpace]kcat\[LetterSpace]exp*Lys[t])/(VlysKR\[LetterSpace]LKR\[LetterSpace]Lys\[LetterSpace]Km\[LetterSpace]exp + Lys[t]), VlysTRNA -> (c1*V\[LetterSpace]Lys\[LetterSpace]RS*Lys[t])/(VlysTRNA\[LetterSpace]Lys\[LetterSpace]tRNAS\[LetterSpace]Lys\[LetterSpace]Km + Lys[t]), Vtd -> (c1*TD*Vtd\[LetterSpace]TD\[LetterSpace]k\[LetterSpace]app\[LetterSpace]exp*Thr[t])/(1 + (Ile[t]/(Vtd\[LetterSpace]TD\[LetterSpace]Ile\[LetterSpace]Ki\[LetterSpace]no\[LetterSpace]Val\[LetterSpace]app\[LetterSpace]exp + (Val*Vtd\[LetterSpace]TD\[LetterSpace]Val\[LetterSpace]Ka1\[LetterSpace]app\[LetterSpace]exp)/(Val + Vtd\[LetterSpace]TD\[LetterSpace]Val\[LetterSpace]Ka2\[LetterSpace]app\[LetterSpace]exp)))^Vtd\[LetterSpace]TD\[LetterSpace]nH\[LetterSpace]app\[LetterSpace]exp), Vtha -> (c1*THA*Vtha\[LetterSpace]THA\[LetterSpace]kcat\[LetterSpace]exp*Thr[t])/(Vtha\[LetterSpace]THA\[LetterSpace]Thr\[LetterSpace]Km\[LetterSpace]exp + Thr[t]), VthrTRNA -> (c1*V\[LetterSpace]Thr\[LetterSpace]RS*Thr[t])/(VthrTRNA\[LetterSpace]Thr\[LetterSpace]tRNAS\[LetterSpace]Thr\[LetterSpace]Km + Thr[t]), Vts1 -> (c1*((AdoMet^Vts1\[LetterSpace]TS1\[LetterSpace]nH\[LetterSpace]exp*Vts1\[LetterSpace]TS1\[LetterSpace]AdoMet\[LetterSpace]kcatmax\[LetterSpace]exp)/Vts1\[LetterSpace]TS1\[LetterSpace]AdoMet\[LetterSpace]Ka1\[LetterSpace]exp + Vts1\[LetterSpace]TS1\[LetterSpace]kcatmin\[LetterSpace]exp)*PHser[t]*TS1[t])/((1 + AdoMet^Vts1\[LetterSpace]TS1\[LetterSpace]nH\[LetterSpace]exp/Vts1\[LetterSpace]TS1\[LetterSpace]AdoMet\[LetterSpace]Ka1\[LetterSpace]exp)*(((1 + AdoMet/Vts1\[LetterSpace]TS1\[LetterSpace]AdoMet\[LetterSpace]Ka2\[LetterSpace]exp)*Vts1\[LetterSpace]TS1\[LetterSpace]AdoMEt\[LetterSpace]Km\[LetterSpace]no\[LetterSpace]AdoMet\[LetterSpace]exp*(1 + Phosphate/Vts1\[LetterSpace]TS1\[LetterSpace]Phosphate\[LetterSpace]Ki\[LetterSpace]exp))/((1 + AdoMet/Vts1\[LetterSpace]TS1\[LetterSpace]AdoMet\[LetterSpace]Ka3\[LetterSpace]exp)*(1 + AdoMet^Vts1\[LetterSpace]TS1\[LetterSpace]nH\[LetterSpace]exp/Vts1\[LetterSpace]TS1\[LetterSpace]AdoMet\[LetterSpace]Ka4\[LetterSpace]exp)) + PHser[t])) }; parameters = { V\[LetterSpace]AA\[LetterSpace]RS -> 0.43, AK1 -> 0.25, AK2 -> 0.25, AKHSDHI -> 0.63, AKHSDHII -> 0.63, ASADH -> 11.6, AdoMet -> 20.0, Asp -> 1500.0, CGS -> 0.7, Cys -> 15.0, Cysta -> 0.0, DHDPS1 -> 1.6, DHDPS2 -> 1.6, Gly -> 0.0, HSK -> 4.0, IleTRNA -> 0.0, LKR -> 0.0, LysTRNA -> 0.0, Phosphate -> 10000.0, Sacc -> 0.0, TD -> 0.36, THA -> 0.0, ThrTRNA -> 0.0, Val -> 100.0, Vak1\[LetterSpace]AK1\[LetterSpace]kforward\[LetterSpace]app\[LetterSpace]exp -> 5.65, Vak1\[LetterSpace]AK1\[LetterSpace]kreverse\[LetterSpace]app\[LetterSpace]exp -> 1.6, Vak1\[LetterSpace]AK1\[LetterSpace]Lys\[LetterSpace]Ki\[LetterSpace]app\[LetterSpace]exp -> 550.0, Vak1\[LetterSpace]AK1\[LetterSpace]AdoMet\[LetterSpace]Ka\[LetterSpace]app\[LetterSpace]exp -> 3.5, Vak1\[LetterSpace]AK1\[LetterSpace]nH\[LetterSpace]exp -> 2.0, Vak2\[LetterSpace]AK2\[LetterSpace]kforward\[LetterSpace]app\[LetterSpace]exp -> 3.15, Vak2\[LetterSpace]AK2\[LetterSpace]kreverse\[LetterSpace]app\[LetterSpace]exp -> 0.86, Vak2\[LetterSpace]AK2\[LetterSpace]Lys\[LetterSpace]Ki\[LetterSpace]app\[LetterSpace]exp -> 22.0, Vak2\[LetterSpace]AK2\[LetterSpace]nH\[LetterSpace]exp -> 1.1, VakI\[LetterSpace]AKI\[LetterSpace]kforward\[LetterSpace]app\[LetterSpace]exp -> 0.36, VakI\[LetterSpace]AKI\[LetterSpace]kreverse\[LetterSpace]app\[LetterSpace]exp -> 0.15, VakI\[LetterSpace]AKI\[LetterSpace]Thr\[LetterSpace]Ki\[LetterSpace]app\[LetterSpace]exp -> 124.0, VakI\[LetterSpace]AKI\[LetterSpace]nH\[LetterSpace]exp -> 2.0, VakII\[LetterSpace]AKII\[LetterSpace]kforward\[LetterSpace]app\[LetterSpace]exp -> 1.35, VakII\[LetterSpace]AKII\[LetterSpace]kreverse\[LetterSpace]app\[LetterSpace]exp -> 0.22, VakII\[LetterSpace]AKII\[LetterSpace]Thr\[LetterSpace]Ki\[LetterSpace]app\[LetterSpace]exp -> 109.0, VakII\[LetterSpace]AKII\[LetterSpace]nH\[LetterSpace]exp -> 2.0, Vasadh\[LetterSpace]ASADH\[LetterSpace]kforward\[LetterSpace]app\[LetterSpace]exp -> 0.9, Vasadh\[LetterSpace]ASADH\[LetterSpace]kreverse\[LetterSpace]app\[LetterSpace]exp -> 0.23, Vdhdps1\[LetterSpace]DHDPS1\[LetterSpace]k\[LetterSpace]app\[LetterSpace]exp -> 1.0, Vdhdps1\[LetterSpace]DHDPS1\[LetterSpace]Lys\[LetterSpace]Ki\[LetterSpace]app\[LetterSpace]exp -> 10.0, Vdhdps1\[LetterSpace]DHDPS1\[LetterSpace]nH\[LetterSpace]exp -> 2.0, Vdhdps2\[LetterSpace]DHDPS2\[LetterSpace]k\[LetterSpace]app\[LetterSpace]exp -> 1.0, Vdhdps2\[LetterSpace]DHDPS2\[LetterSpace]Lys\[LetterSpace]Ki\[LetterSpace]app\[LetterSpace]exp -> 33.0, Vdhdps2\[LetterSpace]DHDPS2\[LetterSpace]nH\[LetterSpace]exp -> 2.0, Vhsdh1\[LetterSpace]HSDHI\[LetterSpace]kforward\[LetterSpace]app\[LetterSpace]exp -> 0.84, Vhsdh1\[LetterSpace]HSDHI\[LetterSpace]Thr\[LetterSpace]relative\[LetterSpace]residual\[LetterSpace]activity\[LetterSpace]app\[LetterSpace]exp -> 0.14, Vhsdh1\[LetterSpace]HSDHI\[LetterSpace]Thr\[LetterSpace]relative\[LetterSpace]inhibition\[LetterSpace]app\[LetterSpace]exp -> 0.86, Vhsdh1\[LetterSpace]HSDHI\[LetterSpace]Thr\[LetterSpace]Ki\[LetterSpace]app\[LetterSpace]exp -> 400.0, Vhsdh2\[LetterSpace]HSDHII\[LetterSpace]kforward\[LetterSpace]app\[LetterSpace]exp -> 0.64, Vhsdh2\[LetterSpace]HSDHII\[LetterSpace]Thr\[LetterSpace]relative\[LetterSpace]residual\[LetterSpace]activity\[LetterSpace]app\[LetterSpace]exp -> 0.25, Vhsdh2\[LetterSpace]HSDHII\[LetterSpace]Thr\[LetterSpace]relative\[LetterSpace]inhibition\[LetterSpace]app\[LetterSpace]exp -> 0.75, Vhsdh2\[LetterSpace]HSDHII\[LetterSpace]Thr\[LetterSpace]Ki\[LetterSpace]app\[LetterSpace]exp -> 8500.0, Vhsk\[LetterSpace]HSK\[LetterSpace]kcat\[LetterSpace]app\[LetterSpace]exp -> 2.8, Vhsk\[LetterSpace]HSK\[LetterSpace]Hser\[LetterSpace]app\[LetterSpace]exp -> 14.0, Vts1\[LetterSpace]TS1\[LetterSpace]kcatmin\[LetterSpace]exp -> 0.42, Vts1\[LetterSpace]TS1\[LetterSpace]AdoMet\[LetterSpace]kcatmax\[LetterSpace]exp -> 3.5, Vts1\[LetterSpace]TS1\[LetterSpace]AdoMet\[LetterSpace]Ka1\[LetterSpace]exp -> 73.0, Vts1\[LetterSpace]TS1\[LetterSpace]nH\[LetterSpace]exp -> 2.0, Vts1\[LetterSpace]TS1\[LetterSpace]Phosphate\[LetterSpace]Ki\[LetterSpace]exp -> 1000.0, Vts1\[LetterSpace]TS1\[LetterSpace]AdoMEt\[LetterSpace]Km\[LetterSpace]no\[LetterSpace]AdoMet\[LetterSpace]exp -> 250.0, Vts1\[LetterSpace]TS1\[LetterSpace]AdoMet\[LetterSpace]Ka2\[LetterSpace]exp -> 0.5, Vts1\[LetterSpace]TS1\[LetterSpace]AdoMet\[LetterSpace]Ka3\[LetterSpace]exp -> 1.09, Vts1\[LetterSpace]TS1\[LetterSpace]AdoMet\[LetterSpace]Ka4\[LetterSpace]exp -> 140.0, Vcgs\[LetterSpace]CGS\[LetterSpace]kcat\[LetterSpace]exp -> 30.0, Vcgs\[LetterSpace]CGS\[LetterSpace]Cys\[LetterSpace]Km\[LetterSpace]exp -> 460.0, Vcgs\[LetterSpace]CGS\[LetterSpace]Phser\[LetterSpace]Km\[LetterSpace]exp -> 2500.0, Vcgs\[LetterSpace]CGS\[LetterSpace]Phosphate\[LetterSpace]Ki\[LetterSpace]exp -> 2000.0, Vtd\[LetterSpace]TD\[LetterSpace]k\[LetterSpace]app\[LetterSpace]exp -> 0.0124, Vtd\[LetterSpace]TD\[LetterSpace]Ile\[LetterSpace]Ki\[LetterSpace]no\[LetterSpace]Val\[LetterSpace]app\[LetterSpace]exp -> 30.0, Vtd\[LetterSpace]TD\[LetterSpace]Val\[LetterSpace]Ka1\[LetterSpace]app\[LetterSpace]exp -> 73.0, Vtd\[LetterSpace]TD\[LetterSpace]Val\[LetterSpace]Ka2\[LetterSpace]app\[LetterSpace]exp -> 615.0, Vtd\[LetterSpace]TD\[LetterSpace]nH\[LetterSpace]app\[LetterSpace]exp -> 3.0, VlysTRNA\[LetterSpace]Lys\[LetterSpace]tRNAS\[LetterSpace]Lys\[LetterSpace]Km -> 25.0, VthrTRNA\[LetterSpace]Thr\[LetterSpace]tRNAS\[LetterSpace]Thr\[LetterSpace]Km -> 100.0, VileTRNA\[LetterSpace]Ile\[LetterSpace]tRNAS\[LetterSpace]Ile\[LetterSpace]Km -> 20.0, VlysKR\[LetterSpace]LKR\[LetterSpace]kcat\[LetterSpace]exp -> 3.1, VlysKR\[LetterSpace]LKR\[LetterSpace]Lys\[LetterSpace]Km\[LetterSpace]exp -> 13000.0, Vtha\[LetterSpace]THA\[LetterSpace]kcat\[LetterSpace]exp -> 1.7, Vtha\[LetterSpace]THA\[LetterSpace]Thr\[LetterSpace]Km\[LetterSpace]exp -> 7100.0, c1 -> 1.0 }; assignments = { V\[LetterSpace]Ile\[LetterSpace]RS -> V\[LetterSpace]AA\[LetterSpace]RS, V\[LetterSpace]Thr\[LetterSpace]RS -> V\[LetterSpace]AA\[LetterSpace]RS, V\[LetterSpace]Lys\[LetterSpace]RS -> V\[LetterSpace]AA\[LetterSpace]RS }; events = { }; speciesAnnotations = { AK1[t]->"http://identifiers.org/uniprot/Q9LYU8", AK2[t]->"http://identifiers.org/uniprot/O23653", AKHSDHI[t]->"http://identifiers.org/uniprot/Q9SA18", AKHSDHII[t]->"http://identifiers.org/uniprot/O81852", ASA[t]->"http://identifiers.org/obo.chebi/CHEBI:13086", ASA[t]->"http://identifiers.org/kegg.compound/C00441", ASADH[t]->"http://identifiers.org/uniprot/Q9FVC4", AdoMet[t]->"http://identifiers.org/obo.chebi/CHEBI:15414", AdoMet[t]->"http://identifiers.org/kegg.compound/C00019", Asp[t]->"http://identifiers.org/obo.chebi/CHEBI:17053", Asp[t]->"http://identifiers.org/kegg.compound/C00049", Asp[t]->"http://identifiers.org/pubchem.substance/47205730", AspP[t]->"http://identifiers.org/obo.chebi/CHEBI:15836", AspP[t]->"http://identifiers.org/kegg.compound/C03082", CGS[t]->"http://identifiers.org/uniprot/P55217", Cys[t]->"http://identifiers.org/obo.chebi/CHEBI:17561", Cys[t]->"http://identifiers.org/kegg.compound/C00097", Cysta[t]->"http://identifiers.org/obo.chebi/CHEBI:17755", Cysta[t]->"http://identifiers.org/kegg.compound/C00542", DHDPS1[t]->"http://identifiers.org/uniprot/Q9LZX6", DHDPS2[t]->"http://identifiers.org/uniprot/Q9FVC8", Gly[t]->"http://identifiers.org/obo.chebi/CHEBI:15428", Gly[t]->"http://identifiers.org/kegg.compound/C00037", HSK[t]->"http://identifiers.org/uniprot/Q9XEE0", Hser[t]->"http://identifiers.org/obo.chebi/CHEBI:15699", Hser[t]->"http://identifiers.org/kegg.compound/C00263", Ile[t]->"http://identifiers.org/obo.chebi/CHEBI:17191", Ile[t]->"http://identifiers.org/kegg.compound/C00407", IleTRNA[t]->"http://identifiers.org/obo.chebi/CHEBI:29160", IleTRNA[t]->"http://identifiers.org/kegg.compound/C03127", LKR[t]->"http://identifiers.org/uniprot/Q9SMZ4", Lys[t]->"http://identifiers.org/obo.chebi/CHEBI:18019", Lys[t]->"http://identifiers.org/kegg.compound/C00047", Lys[t]->"http://identifiers.org/pubchem.substance/47205736", LysTRNA[t]->"http://identifiers.org/obo.chebi/CHEBI:16047", LysTRNA[t]->"http://identifiers.org/kegg.compound/C01931", PHser[t]->"http://identifiers.org/obo.chebi/CHEBI:15961", PHser[t]->"http://identifiers.org/kegg.compound/C01102", Phosphate[t]->"http://identifiers.org/obo.chebi/CHEBI:18367", Phosphate[t]->"http://identifiers.org/kegg.compound/C00009", Sacc[t]->"http://identifiers.org/obo.chebi/CHEBI:16927", Sacc[t]->"http://identifiers.org/kegg.compound/C00449", TD[t]->"http://identifiers.org/uniprot/Q9ZSS6", TS1[t]->"http://identifiers.org/uniprot/Q9S7B5", Thr[t]->"http://identifiers.org/obo.chebi/CHEBI:16857", Thr[t]->"http://identifiers.org/kegg.compound/C00188", ThrTRNA[t]->"http://identifiers.org/obo.chebi/CHEBI:29163", ThrTRNA[t]->"http://identifiers.org/kegg.compound/C02992", Val[t]->"http://identifiers.org/obo.chebi/CHEBI:16414", Val[t]->"http://identifiers.org/kegg.compound/C00183" }; reactionAnnotations = { VileTRNA->"http://identifiers.org/ec-code/6.1.1.5", VileTRNA->"http://identifiers.org/kegg.reaction/R03656", VileTRNA->"http://identifiers.org/obo.go/GO:0006428", VlysKR->"http://identifiers.org/ec-code/1.5.1.8", VlysKR->"http://identifiers.org/kegg.reaction/R00716", VlysKR->"http://identifiers.org/obo.go/GO:0047130", Vtha->"http://identifiers.org/ec-code/4.1.2.5", Vtha->"http://identifiers.org/kegg.reaction/R00751", Vtha->"http://identifiers.org/obo.go/GO:0004793", VthrTRNA->"http://identifiers.org/ec-code/6.1.1.3", VthrTRNA->"http://identifiers.org/kegg.reaction/R03663", VthrTRNA->"http://identifiers.org/obo.go/GO:0006435", VthrTRNA->"http://identifiers.org/obo.go/GO:0004812" }; units = { {"time" -> "", "metabolite" -> "", "extent" -> ""} }; (* Time evolution *) odes = { ASA'[t] == 1.0*Vasadh -1.0*Vdhdps1 -1.0*Vdhdps2 -1.0*Vhsdh1 -1.0*Vhsdh2, AspP'[t] == 1.0*Vak1 +1.0*Vak2 +1.0*VakI +1.0*VakII -1.0*Vasadh, Hser'[t] == 1.0*Vhsdh1 +1.0*Vhsdh2 -1.0*Vhsk, Ile'[t] == 1.0*Vtd -1.0*VileTRNA, Lys'[t] == 1.0*Vdhdps1 +1.0*Vdhdps2 -1.0*VlysTRNA -1.0*VlysKR, PHser'[t] == 1.0*Vhsk -1.0*Vts1 -1.0*Vcgs, TS1'[t] == 0.0 , Thr'[t] == 1.0*Vts1 -1.0*Vtd -1.0*VthrTRNA -1.0*Vtha }; 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]}]