#hald

FIX: X drain

#reactions
v_ACAvap:
 {1.0}ACA0 = {1.0}X
  0.5*kVap*ACA0
v_ADH1:
 {1.0}EtOH + {1.0}NAD = {1.0}ACA + {1.0}NADH
  2.0*sc*((V1adh1*V2adh1*(EtOH*NAD-ACA*NADH/Keq)/(Kiadh1NAD*Kadh1EtOH*V2adh1+Kadh1EtOH*V2adh1*NAD+Kadh1NAD*V2adh1*EtOH+V2adh1*NAD*EtOH+Kadh1NADH*V1adh1*ACA/Keq+Kadh1ACA*V1adh1*NADH/Keq+V1adh1*ACA*NADH/Keq+Kadh1NADH*V1adh1*NAD*ACA/(Kiadh1NAD*Keq)+Kadh1NAD*V2adh1*EtOH*NADH/Kiadh1NADH+V2adh1*NAD*EtOH*ACA/Kiadh1ACA+V1adh1*EtOH*ACA*NADH/(Kiadh1EtOH*Keq))))
v_AK:
 {1.0}AMP + {1.0}ATP = {2.0}ADP
  sc*(kakf*AMP*ATP-kakr*pow(ADP,2))
v_ALD:
 {1.0}FBP = {1.0}DHAP + {1.0}GAP
  sc*(Valdf*FBP/(KaldFBP+FBP+GAP*KaldDHAP*Valdf/(Kaldeq*Valdr)+DHAP*KaldGAP*Valdf/(Kaldeq*Valdr)+FBP*GAP/KaldIGAP+GAP*DHAP*Valdf/(Kaldeq*Valdr))-(Valdf*GAP*DHAP/Kaldeq)/(KaldFBP+FBP+GAP*KaldDHAP*Valdf/(Kaldeq*Valdr)+DHAP*KaldGAP*Valdf/(Kaldeq*Valdr)+FBP*GAP/KaldIGAP+GAP*DHAP*Valdf/(Kaldeq*Valdr)))
v_ALDH:
 {1.0}ACA + {1.0}NAD = {1.0}NADH + {1.0}OAc
  sc*(kOAc*ACA*NAD)
v_ATPcon:
 {1.0}ATP = {1.0}ADP
  0.832*sc*Vatpconm*ATP/(KatpconATP+ATP)
v_DHAPCN:
 {1.0}DHAP + {1.0}HCN = {1.0}DHAPCN
  kdhapf*HCN*DHAP-kdhapb*DHAPCN
v_GAPDH:
 {1.0}GAP + {1.0}NAD = {1.0}DPG + {1.0}NADH
  sc*(Vgapdh*GAP*NAD/KgapdhGAP/KgapdhNAD/((1+GAP/KgapdhGAP+DPG/KgapdhDPG)*(1+NAD/KgapdhNAD+NADH/KgapdhNADH))-Vgapdh*DPG*NADH/Kgapdheq/KgapdhGAP/KgapdhNAD/((1+GAP/KgapdhGAP+DPG/KgapdhDPG)*(1+NAD/KgapdhNAD+NADH/KgapdhNADH)))
v_Glctr:
 {1.0}Glc0 = {59.0}Glc
  sc*(Vglctr/Vratio*((Glc0/KglctrGlc)/(1+(Glc0/KglctrGlc)+((Pglctr*(Glc0/KglctrGlc)+1)/(Pglctr*(Glc/KglctrGlc)+1)*(1+(Glc/KglctrGlc)+(G6P/KglctrIG6P)+(Glc*G6P/(KglctrGlc*KglctrIIG6P))))))-Vglctr/Vratio*((Glc/KglctrGlc)/(1+(Glc/KglctrGlc)+((Pglctr*(Glc/KglctrGlc)+1)/(Pglctr*(Glc0/KglctrGlc)+1)*(1+(Glc0/KglctrGlc))+(G6P/KglctrIG6P)+(Glc*G6P/(KglctrGlc*KglctrIIG6P))))))
v_HCNvap:
 {1.0}HCN0 = {1.0}X
  kVap*HCN0
v_HK:
 {1.0}ATP + {1.0}Glc = {1.0}ADP + {1.0}G6P
  sc*(Vhkm*ATP*Glc/(KhkDGlc*KhkATP+KhkGlc*ATP+KhkATP*Glc+Glc*ATP))
v_LACTO:
 {1.0}ACA0 + {1.0}HCN0 = {1.0}lacto
  kacaf*HCN0*ACA0-kacab*lacto
v_PDC:
 {1.0}Pyr = {1.0}ACA
  0.7*sc*(V1PDC*Pyr/(KaPDC*((1+G6P/KxPDC)/((1+bet*G6P/(alp*KxPDC))))+Pyr*((1+G6P/(alp*KxPDC))/((1+bet*G6P/(alp*KxPDC))))))
v_PFK:
 {1.0}ATP + {1.0}F6P = {1.0}ADP + {1.0}FBP
  sc*(Vpfkm*ATP*(F6P*F6P)/((Kpfk*(1+kappapfk*(ATP/AMP)*(ATP/AMP))+F6P*F6P)*(KpfkmATP+ATP)))
v_PGI:
 {1.0}G6P = {1.0}F6P
  sc*(Vpgi*G6P/(KpgiG6P+G6P+(KpgiG6P/KpgiF6P)*F6P)-Vpgi*(F6P/Kpgieq)/(KpgiG6P+G6P+(KpgiG6P/KpgiF6P)*F6P))
v_PK:
 {1.0}ADP + {1.0}PEP = {1.0}ATP + {1.0}Pyr
  sc*(Vpkm*ADP*PEP/((KpkPEP+PEP)*(KpkADP+ADP)))
v_PYRCN:
 {1.0}HCN + {1.0}Pyr = {1.0}PyrCN
  kpyrf*HCN*Pyr-kpyrb*PyrCN
v_PYRdrain:
 {1.0}Pyr = {1.0}drain
  1.15*sc*(VPYRd*Pyr/(KmPYRd+Pyr))
v_Storage:
 {1.0}ATP + {1.0}G6P = {1.0}ADP + {1.0}glycogen
  sc*kg6pst*ATP*G6P
v_TIM:
 {1.0}DHAP = {1.0}GAP
  sc*(Vtimm*DHAP/(KtimDHAP+DHAP+(KtimDHAP/KtimGAP)*GAP)-Vtimm*(GAP/Ktimeq)/(KtimDHAP+DHAP+(KtimDHAP/KtimGAP)*GAP))
v_diACA:
 {59.0}ACA = {1.0}ACA0
  sc*(dACA/Vratio*ACA-dACA/Vratio*ACA0)
v_diEtOH:
 {59.0}EtOH = {1.0}EtOH0
  sc*(dEtOH/Vratio*EtOH-dEtOH/Vratio*EtOH0)
v_diGlyc:
 {59.0}Glyc = {1.0}Glyc0
  sc*(dGlyc/Vratio*Glyc-dGlyc/Vratio*Glyc0)
v_diHCN:
 {59.0}HCN = {1.0}HCN0
  sc*(dHCN/Vratio*HCN-dHCN/Vratio*HCN0)
v_diOAc:
 {59.0}OAc = {1.0}OAc0
  sc*(dOAc/Vratio*OAc-dOAc/Vratio*OAc0)
v_lpGlyc:
 {1.0}DHAP + {1.0}NADH = {1.0}Glyc + {1.0}NAD
  sc*(Vlpglycm*DHAP/(KlpglycDHAP*(1+(KlpglycINADH/NADH)*(1+(NAD/KlpglycINAD)))+DHAP*(1+(KlpglycNADH/NADH)*(1+(NAD/KlpglycINAD)))))
v_lpPEP:
 {1.0}ADP + {1.0}DPG = {1.0}ATP + {1.0}PEP
  sc*(klppepf*DPG*ADP-klppepr*PEP*ATP)


#parameters
Atot = 3.93
Etotadh1 = 0.0045
KG6Pactiv = 3.1
KaPDC = 8.8888889
Kadh1ACA = 1.1
Kadh1EtOH = 17.0
Kadh1NAD = 0.17
Kadh1NADH = 0.11
KaldDHAP = 2.0
KaldFBP = 0.3
KaldGAP = 4.0
KaldIGAP = 10.0
Kaldeq = 0.081
KatpconATP = 10000000000.0
Keq = 5.0476587558e-05
KgapdhDPG = 0.01
KgapdhGAP = 0.6
KgapdhNAD = 0.1
KgapdhNADH = 0.06
Kgapdheq = 0.0055
KglctrGlc = 1.7
KglctrIG6P = 1.2
KglctrIIG6P = 7.2
KhkATP = 0.1
KhkDGlc = 0.37
KhkGlc = 0.0
Kiadh1ACA = 1.1
Kiadh1EtOH = 90.0
Kiadh1NAD = 0.92
Kiadh1NADH = 0.031
KlpglycDHAP = 25.0
KlpglycINAD = 0.13
KlpglycINADH = 0.034
KlpglycNADH = 0.13
KmPYRd = 0.5
Kpdc = 0.8
Kpfk = 0.021
KpfkmATP = 0.0
KpgiF6P = 0.15
KpgiG6P = 0.8
Kpgieq = 0.13
KpkADP = 0.17
KpkDPEP = 0.2
KpkPEP = 0.2
KtimDHAP = 1.23
KtimGAP = 1.27
Ktimeq = 0.055
KxPDC = 9.0
Ntot = 0.98
Pglctr = 1.0
V1PDC = 0.9558
V1adh1 = 110.16
V2adh1 = 550.8
VPYRd = 1.96
Valdf = 2207.82
Valdr = 11039.1
Vatpconm = 128000000000.0
Vgapdh = 833.858
Vglctr = 142.0944
Vhkm = 41.40376
Vlpglycm = 81.4797
Vpdcm = 95.58
Vpfkm = 38.163468
Vpgi = 496.042
Vpkm = 343.096
Vratio = 59.0
Vtimm = 116.365
alp = 0.09
bet = 100.0
dACA = 24.7
dEtOH = 16.72
dGlyc = 1.9
dHCN = 34.2
dOAc = 16.72
kOAc = 0.5
kVap = 0.00287219
kacab = 2.03e-06
kacaf = 0.036
kakf = 432.9
kakr = 133.333
kappapfk = 0.15
kdhapb = 0.012
kdhapf = 0.037
kg6pst = 2.598218
klppepf = 443866.0
klppepr = 1528.62
kpyrb = 0.0037
kpyrf = 0.034
sc = 2.0
X = 0.0
drain = 0.0
default = 1.0


#initial values
ACA = 0.0
ACA0 = 0.0
ADP = 1.5
AMP = 0.33
ATP = 2.1
DHAP = 0.0
DHAPCN = 0.0
DPG = 0.0
EtOH = 0.0
EtOH0 = 0.0
F6P = 0.0
FBP = 0.0
G6P = 0.0
GAP = 0.0
Glc = 0.0
Glc0 = 24.0
Glyc = 0.0
Glyc0 = 0.0
HCN = 0.0
HCN0 = 5.0
NAD = 0.75
NADH = 0.23
OAc = 0.0
OAc0 = 0.0
PEP = 0.0
Pyr = 0.0
PyrCN = 0.0
glycogen = 0.0
lacto = 0.0


#assignment rules