#holzhutter FIX: Glcout Lacex PRPP Phiex Pyrex #reactions v_1: {1.0}Glcout = {1.0}Glcin Vmaxv0/KMoutv0*(Glcout-Glcin/Keqv0)/(1+Glcout/KMoutv0+Glcin/KMinv0+alfav0*Glcout*Glcin/KMoutv0/KMinv0) v_10: {1.0}Gri23P2f = {1.0}Gri3P + {1.0}Phi Vmaxv9*((Gri23P2f + MgGri23P2) - Gri3P/Keqv9)/((Gri23P2f + MgGri23P2) + K23P2Gv9) v_11: {1.0}Gri3P = {1.0}Gri2P Vmaxv10*(Gri3P - Gri2P/Keqv10)/(Gri3P + K3PGv10*(1 + Gri2P/K2PGv10)) v_12: {1.0}Gri2P = {1.0}PEP Vmaxv11*(Gri2P - PEP /Keqv11)/(Gri2P + K2PGv11*(1+PEP/KPEPv11)) v_13: {1.0}PEP + {1.0}MgADP = {1.0}Pyr + {1.0}MgATP Vmaxv12*(PEP*MgADP - Pyr*MgATP/Keqv12)/((PEP + KPEPv12)*(MgADP + KMgADPv12)*(1 + L0v12*((1 + (ATPf+MgATP)/KATPv12)**4)/(((1 + PEP/KPEPv12)**4)*((1 + Fru16P2/KFru16P2v12)**4)))) v_14: {1.0}Pyr + {1.0}NADH = {1.0}Lac + {1.0}NAD Vmaxv13*(Pyr*NADH-Lac*NAD/Keqv13) v_15: {1.0}Pyr + {1.0}NADPHf = {1.0}Lac + {1.0}NADPf kLDHv14*(Pyr*NADPHf - Lac*NADPf/Keqv14) v_16: {1.0}MgATP = {1.0}MgADP + {1.0}Phi kATPasev15*MgATP v_17: {1.0}MgATP + {1.0}AMPf = {1.0}MgADP + {1.0}ADPf (Vmaxv16/(KATPv16*KAMPv16))*(MgATP*AMPf - MgADP*ADPf/Keqv16)/((1+MgATP/KATPv16)*(1+AMPf/KAMPv16) + (MgADP+ADPf)/KADPv16 + (MgADP*ADPf)/((KADPv16)**2)) v_18: {1.0}Glc6P + {1.0}NADPf = {1.0}GlcA6P + {1.0}NADPHf Vmaxv17/KG6Pv17/KNADPv17*(Glc6P*NADPf - GlcA6P*NADPHf/Keqv17)/(1 + NADPf*(1+Glc6P/KG6Pv17)/KNADPv17 + (ATPf+MgATP)/KATPv17 + NADPHf/KNADPHv17 + (Gri23P2f + MgGri23P2)/KPGA23v17) v_19: {1.0}GlcA6P + {1.0}NADPf = {1.0}Rul5P + {1.0}NADPHf Vmaxv18/K6PG1v18/KNADPv18*(GlcA6P*NADPf - Rul5P*NADPHf/Keqv18)/((1+NADPf/KNADPv18)*(1+GlcA6P/K6PG1v18+(Gri23P2f + MgGri23P2)/KPGA23v18) + (ATPf+MgATP)/KATPv18 + NADPHf*(1+GlcA6P/K6PG2v18)/KNADPHv18) v_2: {1.0}Glcin + {1.0}MgATP = {1.0}Glc6P + {1.0}MgADP Inhibv1*Glcin/(Glcin+KMGlcv1)*(Vmax1v1/KMgATPv1)*(MgATP + (Vmax2v1/Vmax1v1)*MgATP*Mgf/KMgATPMgv1 - Glc6P*MgADP/Keqv1)/(1 + (MgATP/KMgATPv1)*(1+Mgf/KMgATPMgv1) + Mgf/KMgv1 + (1.55+Glc6P/KGlc6Pv1)*(1+Mgf/KMgv1) + (Gri23P2f + MgGri23P2)/K23P2Gv1 + Mgf*(Gri23P2f + MgGri23P2)/(KMgv1*KMg23P2Gv1)) v_20: {1.0}GSSG + {1.0}NADPHf = {2.0}GSH + {1.0}NADPf Vmaxv19*(GSSG*NADPHf/(KGSSGv19*KNADPHv19) - (GSH**2/KGSHv19**2)*NADPf/(KNADPv19*Keqv19))/(1 + NADPHf*(1+GSSG/KGSSGv19)/KNADPHv19 + (NADPf/KNADPv19)*(1 + GSH*(1+GSH/KGSHv19)/KGSHv19)) v_21: {2.0}GSH = {1.0}GSSG Kv20*GSH v_22: {1.0}Rul5P = {1.0}Xul5P Vmaxv21*(Rul5P-Xul5P/Keqv21)/(Rul5P+KRu5Pv21*(1+Xul5P/KX5Pv21)) v_23: {1.0}Rul5P = {1.0}Rib5P Vmaxv22*(Rul5P-Rib5P/Keqv22)/(Rul5P+KRu5Pv22*(1+Rib5P/KR5Pv22)) v_24: {1.0}Rib5P + {1.0}Xul5P = {1.0}GraP + {1.0}Sed7P Vmaxv23*(Rib5P*Xul5P - GraP*Sed7P/Keqv23)/((K1v23 + Rib5P)*Xul5P + (K2v23+K6v23*Sed7P)*Rib5P + (K3v23+K5v23*Sed7P)*GraP + K4v23*Sed7P + K7v23*Xul5P*GraP) v_25: {1.0}Sed7P + {1.0}GraP = {1.0}E4P + {1.0}Fru6P Vmaxv24*(Sed7P*GraP - E4P*Fru6P/Keqv24)/((K1v24 + GraP)*Sed7P + (K2v24+K6v24*Fru6P)*GraP + (K3v24+K5v24*Fru6P)*E4P + K4v24*Fru6P + K7v24*Sed7P*E4P) v_26: {1.0}Rib5P + {1.0}MgATP = {1.0}PRPP + {1.0}MgAMP Vmaxv25*(Rib5P*MgATP - PRPP*MgAMP/Keqv25)/((KATPv25 + MgATP)*(KR5Pv25 + Rib5P)) v_27: {1.0}E4P + {1.0}Xul5P = {1.0}GraP + {1.0}Fru6P Vmaxv26*(E4P*Xul5P - GraP*Fru6P/Keqv26)/((K1v26 + E4P)*Xul5P + (K2v26+K6v26*Fru6P)*E4P + (K3v26+K5v26*Fru6P)*GraP + K4v26*Fru6P + K7v26*Xul5P*GraP) v_28: {1.0}Phiex = {1.0}Phi Vmaxv27*(Phiex-Phi/Keqv27) v_29: {1.0}Lacex = {1.0}Lac Vmaxv28*(Lacex-Lac/Keqv28) v_3: {1.0}Glc6P = {1.0}Fru6P Vmaxv2*(Glc6P-Fru6P/Keqv2)/(Glc6P+KGlc6Pv2*(1+Fru6P/KFru6Pv2)) v_30: {1.0}Pyrex = {1.0}Pyr Vmaxv29*(Pyrex-Pyr/Keqv29) v_31: {1.0}MgATP = {1.0}ATPf + {1.0}Mgf EqMult*(MgATP - Mgf*ATPf/KdATP) v_32: {1.0}MgADP = {1.0}ADPf + {1.0}Mgf EqMult*(MgADP - Mgf*ADPf/KdADP) v_33: {1.0}MgAMP = {1.0}AMPf + {1.0}Mgf EqMult*(MgAMP - Mgf*AMPf/KdAMP) v_34: {1.0}MgGri23P2 = {1.0}Gri23P2f + {1.0}Mgf EqMult*(MgGri23P2 - Mgf*Gri23P2f/Kd23P2G) v_35: {1.0}P1NADP = {1.0}P1f + {1.0}NADPf EqMult*(P1NADP - P1f*NADPf/Kd1) v_36: {1.0}P1NADPH = {1.0}P1f + {1.0}NADPHf EqMult*(P1NADPH - P1f*NADPHf/Kd3) v_37: {1.0}P2NADP = {1.0}P2f + {1.0}NADPf EqMult*(P2NADP - P2f*NADPf/Kd2) v_38: {1.0}P2NADPH = {1.0}P2f + {1.0}NADPHf EqMult*(P2NADPH - P2f*NADPHf/Kd4) v_4: {1.0}Fru6P + {1.0}MgATP = {1.0}Fru16P2 + {1.0}MgADP Vmaxv3*(Fru6P*MgATP - Fru16P2*MgADP/Keqv3)/((Fru6P + KFru6Pv3)*(MgATP + KMgATPv3)*(1+L0v3*((1+ATPf/KATPv3)*(1+Mgf/KMgv3)/ ((1+(AMPf+MgAMP)/KAMPv3)*(1+Fru6P/KFru6Pv3)))**4)) v_5: {1.0}Fru16P2 = {1.0}GraP + {1.0}DHAP (Vmaxv4/KFru16P2v4)*(Fru16P2 - GraP*DHAP/Keqv4)/(1 + Fru16P2/KFru16P2v4 + GraP/KiGraPv4 + DHAP*(GraP+KGraPv4)/(KDHAPv4*KiGraPv4)+ Fru16P2*GraP/(KFru16P2v4*KiiGraPv4)) v_6: {1.0}DHAP = {1.0}GraP Vmaxv5*(DHAP-GraP/Keqv5)/(DHAP+KDHAPv5*(1+GraP/KGraPv5)) v_7: {1.0}GraP + {1.0}Phi + {1.0}NAD = {1.0}Gri13P2 + {1.0}NADH Vmaxv6/(KNADv6*KGraPv6*KPv6)*(NAD*GraP*Phi - Gri13P2*NADH/Keqv6)/((1+NAD/KNADv6)*(1+GraP/KGraPv6)*(1+Phi/KPv6) + (1+NADH/KNADHv6)*(1+ Gri13P2/K13P2Gv6) - 1) v_8: {1.0}Gri13P2 + {1.0}MgADP = {1.0}Gri3P + {1.0}MgATP Vmaxv7/(KMgADPv7*K13P2Gv7)*(MgADP*Gri13P2 - MgATP*Gri3P/Keqv7)/((1+MgADP/KMgADPv7)*(1+Gri13P2/K13P2Gv7) + (1+MgATP/KMgATPv7)*(1+Gri3P/K3PGv7) - 1) v_9: {1.0}Gri13P2 = {1.0}Gri23P2f kDPGMv8*(Gri13P2 - (Gri23P2f + MgGri23P2)/Keqv8)/(1 + (Gri23P2f + MgGri23P2)/K23P2Gv8) #parameters Atot = 2.0 EqMult = 1000.0 GStotal = 3.114 Inhibv1 = 1.0 K13P2Gv6 = 0.0035 K13P2Gv7 = 0.002 K1v23 = 0.4177 K1v24 = 0.00823 K1v26 = 0.00184 K23P2Gv1 = 2.7 K23P2Gv8 = 0.04 K23P2Gv9 = 0.2 K2PGv10 = 1.0 K2PGv11 = 1.0 K2v23 = 0.3055 K2v24 = 0.04765 K2v26 = 0.3055 K3PGv10 = 5.0 K3PGv7 = 1.2 K3v23 = 12.432 K3v24 = 0.1733 K3v26 = 0.0548 K4v23 = 0.00496 K4v24 = 0.006095 K4v26 = 0.0003 K5v23 = 0.41139 K5v24 = 0.8683 K5v26 = 0.0287 K6PG1v18 = 0.01 K6PG2v18 = 0.058 K6v23 = 0.00774 K6v24 = 0.4653 K6v26 = 0.122 K7v23 = 48.8 K7v24 = 2.524 K7v26 = 0.215 KADPv16 = 0.11 KAMPv16 = 0.08 KAMPv3 = 0.033 KATPv12 = 3.39 KATPv16 = 0.09 KATPv17 = 0.749 KATPv18 = 0.154 KATPv25 = 0.03 KATPv3 = 0.01 KDHAPv4 = 0.0364 KDHAPv5 = 0.838 KFru16P2v12 = 0.005 KFru16P2v4 = 0.0071 KFru6Pv2 = 0.071 KFru6Pv3 = 0.1 KG6Pv17 = 0.0667 KGSHv19 = 20.0 KGSSGv19 = 0.0652 KGlc6Pv1 = 0.0045 KGlc6Pv2 = 0.182 KGraPv4 = 0.1906 KGraPv5 = 0.428 KGraPv6 = 0.005 KMGlcv1 = 0.1 KMg23P2Gv1 = 3.44 KMgADPv12 = 0.474 KMgADPv7 = 0.35 KMgATPMgv1 = 1.14 KMgATPv1 = 1.44 KMgATPv3 = 0.068 KMgATPv7 = 0.48 KMgv1 = 1.03 KMgv3 = 0.44 KMinv0 = 6.9 KMoutv0 = 1.7 KNADHv6 = 0.0083 KNADPHv17 = 0.00312 KNADPHv18 = 0.0045 KNADPHv19 = 0.00852 KNADPv17 = 0.00367 KNADPv18 = 0.018 KNADPv19 = 0.07 KNADv6 = 0.05 KPEPv11 = 1.0 KPEPv12 = 0.225 KPGA23v17 = 2.289 KPGA23v18 = 0.12 KPv6 = 3.9 KR5Pv22 = 2.2 KR5Pv25 = 0.57 KRu5Pv21 = 0.19 KRu5Pv22 = 0.78 KX5Pv21 = 0.5 Kd1 = 0.0002 Kd2 = 1e-05 Kd23P2G = 1.667 Kd3 = 1e-05 Kd4 = 0.0002 KdADP = 0.76 KdAMP = 16.64 KdATP = 0.072 Keqv0 = 1.0 Keqv1 = 3900.0 Keqv10 = 0.145 Keqv11 = 1.7 Keqv12 = 13790.0 Keqv13 = 9090.0 Keqv14 = 14181.8 Keqv16 = 0.25 Keqv17 = 2000.0 Keqv18 = 141.7 Keqv19 = 1.04 Keqv2 = 0.3925 Keqv21 = 2.7 Keqv22 = 3.0 Keqv23 = 1.05 Keqv24 = 1.05 Keqv25 = 100000.0 Keqv26 = 1.2 Keqv27 = 1.0 Keqv28 = 1.0 Keqv29 = 1.0 Keqv3 = 100000.0 Keqv4 = 0.114 Keqv5 = 0.0407 Keqv6 = 0.000192 Keqv7 = 1455.0 Keqv8 = 100000.0 Keqv9 = 100000.0 KiGraPv4 = 0.0572 KiiGraPv4 = 0.176 Kv20 = 0.03 L0v12 = 19.0 L0v3 = 0.001072 Mgtot = 2.8 NADPtot = 0.052 NADtot = 0.0655 Vmax1v1 = 15.8 Vmax2v1 = 33.2 Vmaxv0 = 33.6 Vmaxv10 = 2000.0 Vmaxv11 = 1500.0 Vmaxv12 = 570.0 Vmaxv13 = 2800000.0 Vmaxv16 = 1380.0 Vmaxv17 = 162.0 Vmaxv18 = 1575.0 Vmaxv19 = 90.0 Vmaxv2 = 935.0 Vmaxv21 = 4634.0 Vmaxv22 = 730.0 Vmaxv23 = 23.5 Vmaxv24 = 27.2 Vmaxv25 = 1.1 Vmaxv26 = 23.5 Vmaxv27 = 100.0 Vmaxv28 = 10000.0 Vmaxv29 = 10000.0 Vmaxv3 = 239.0 Vmaxv4 = 98.91000366 Vmaxv5 = 5456.600098 Vmaxv6 = 4300.0 Vmaxv7 = 5000.0 Vmaxv9 = 0.53 alfav0 = 0.54 kATPasev15 = 1.68 kDPGMv8 = 76000.0 kLDHv14 = 243.4 protein1 = 0.024 protein2 = 0.024 Glcout = 5.0 Lacex = 1.68 PRPP = 1.0 Phiex = 1.0 Pyrex = 0.084 default_compartment = 1.0 #initial values ADPf = 0.25 AMPf = 0.0 ATPf = 0.25 DHAP = 0.1492 E4P = 0.0063 Fru16P2 = 0.0097 Fru6P = 0.0153 GSH = 3.1136 GSSG = 0.0004 Glc6P = 0.0394 GlcA6P = 0.025 Glcin = 4.5663 GraP = 0.0061 Gri13P2 = 0.0005 Gri23P2f = 2.0601 Gri2P = 0.0084 Gri3P = 0.0658 Lac = 1.6803 MgADP = 0.1 MgAMP = 0.0 MgATP = 1.4 MgGri23P2 = 0.5 Mgf = 0.8 NAD = 0.0653 NADH = 0.0002 NADPHf = 0.004 NADPf = 0.0 P1NADP = 0.0 P1NADPH = 0.024 P1f = 0.0 P2NADP = 0.0 P2NADPH = 0.024 P2f = 0.0 PEP = 0.0109 Phi = 0.9992 Pyr = 0.084 Rib5P = 0.014 Rul5P = 0.0047 Sed7P = 0.0154 Xul5P = 0.0127 #assignment rules