begin name
smallbone9
end name

begin reactions
ADH {1.0}AcAld + {1.0}NADH = {1.0}NAD + {1.0}$EtOH
AK {2.0}ADP = {1.0}AMP + {1.0}ATP
ATPase {1.0}ATP = {1.0}ADP
ENO {1.0}P2G = {1.0}PEP
FBA {1.0}F16bP = {1.0}DHAP + {1.0}GAP
GPD {1.0}DHAP + {1.0}NADH = {1.0}G3P + {1.0}NAD
GPM {1.0}P3G = {1.0}P2G
GPP {1.0}G3P = {1.0}$GLY
HXKGLK1 {1.0}ATP + {1.0}GLC = {1.0}ADP + {1.0}G6P
HXKHXK1 {1.0}ATP + {1.0}GLC = {1.0}ADP + {1.0}G6P
HXKHXK2 {1.0}ATP + {1.0}GLC = {1.0}ADP + {1.0}G6P
HXT {1.0}$GLCx = {1.0}GLC
PDCPDC1 {1.0}PYR = {1.0}AcAld
PDCPDC5 {1.0}PYR = {1.0}AcAld
PDCPDC6 {1.0}PYR = {1.0}AcAld
PFK {1.0}ATP + {1.0}F6P = {1.0}ADP + {1.0}F16bP
PGI {1.0}G6P = {1.0}F6P
PGK {1.0}ADP + {1.0}BPG = {1.0}ATP + {1.0}P3G
PGM {1.0}G6P = {1.0}G1P
PYK {1.0}ADP + {1.0}PEP = {1.0}ATP + {1.0}PYR
TDHTDH1 {1.0}GAP + {1.0}NAD = {1.0}BPG + {1.0}NADH
TDHTDH2 {1.0}GAP + {1.0}NAD = {1.0}BPG + {1.0}NADH
TDHTDH3 {1.0}GAP + {1.0}NAD = {1.0}BPG + {1.0}NADH
TPI {1.0}DHAP = {1.0}GAP
TPP {1.0}T6P = {1.0}$TRH
TPS {1.0}G6P + {1.0}UDG = {1.0}T6P + {1.0}UDP
UGP {1.0}G1P + {1.0}UTP = {1.0}UDG
acetatebranch {1.0}AcAld + {1.0}NAD = {1.0}NADH + {1.0}$ACE
succinatebranch {1.0}PYR + {3.0}NAD = {0.75}$SUC + {3.0}NADH
udptoutp {1.0}ATP + {1.0}UDP = {1.0}ADP + {1.0}UTP
end reactions

begin rate equations
ADH = (ADHVmax*(-((EtOH*NAD[t])/(ADHKacald*ADHKeq*ADHKinadh)) + (AcAld[t]*NADH[t])/(ADHKacald*ADHKinadh)))/(1 + (ADHKnad*EtOH)/(ADHKetoh*ADHKinad) + (ADHKnadh*AcAld[t])/(ADHKacald*ADHKinadh) + NAD[t]/ADHKinad + (EtOH*NAD[t])/(ADHKetoh*ADHKinad) + (ADHKnadh*AcAld[t]*NAD[t])/(ADHKacald*ADHKinad*ADHKinadh) + (EtOH*AcAld[t]*NAD[t])/(ADHKetoh*ADHKiacald*ADHKinad) + NADH[t]/ADHKinadh + (ADHKnad*EtOH*NADH[t])/(ADHKetoh*ADHKinad*ADHKinadh) + (AcAld[t]*NADH[t])/(ADHKacald*ADHKinadh) + (EtOH*AcAld[t]*NADH[t])/(ADHKacald*ADHKietoh*ADHKinadh))
AK = AKk*(ADP[t]^2 - (AMP[t]*ATP[t])/AKKeq)
ATPase = (ATPaseVmax*ATP[t])/(ATPaseKatp*(1 + ATP[t]/ATPaseKatp))
ENO = (ENOVmax*(P2G[t]/ENOKp2g - PEP[t]/(ENOKeq*ENOKp2g)))/(1 + P2G[t]/ENOKp2g + PEP[t]/ENOKpep)
FBA = (FBAVmax*(F16bP[t]/FBAKf16bp - (DHAP[t]*GAP[t])/(FBAKeq*FBAKf16bp)))/(1 + DHAP[t]/FBAKdhap + F16bP[t]/FBAKf16bp + GAP[t]/FBAKgap + (DHAP[t]*GAP[t])/(FBAKdhap*FBAKgap) + (F16bP[t]*GAP[t])/(FBAKf16bp*FBAKigap))
GPD = (GPDVmax*(-((G3P[t]*NAD[t])/GPDKeq) + DHAP[t]*NADH[t]))/(GPDKdhap*GPDKnadh*(1 + ADP[t]/GPDKadp + ATP[t]/GPDKatp + F16bP[t]/GPDKfbp)*(1 + DHAP[t]/GPDKdhap + G3P[t]/GPDKg3p)*(1 + NAD[t]/GPDKnad + NADH[t]/GPDKnadh))
GPM = (GPMVmax*(-(P2G[t]/(GPMKeq*GPMKp3g)) + P3G[t]/GPMKp3g))/(1 + P2G[t]/GPMKp2g + P3G[t]/GPMKp3g)
GPP = (GPPVmax*G3P[t])/(GPPKg3p*(1 + G3P[t]/GPPKg3p))
HXKGLK1 = (GLK1*HXKGLK1kcat*(-((ADP[t]*G6P[t])/(HXKGLK1Katp*HXKGLK1Kglc*KeqHXK)) + (ATP[t]*GLC[t])/(HXKGLK1Katp*HXKGLK1Kglc)))/((1 + ADP[t]/HXKGLK1Kadp + ATP[t]/HXKGLK1Katp)*(1 + G6P[t]/HXKGLK1Kg6p + GLC[t]/HXKGLK1Kglc))
HXKHXK1 = (HXK1*HXKHXK1kcat*(-((ADP[t]*G6P[t])/(HXKHXK1Katp*HXKHXK1Kglc*KeqHXK)) + (ATP[t]*GLC[t])/(HXKHXK1Katp*HXKHXK1Kglc)))/((1 + ADP[t]/HXKHXK1Kadp + ATP[t]/HXKHXK1Katp)*(1 + G6P[t]/HXKHXK1Kg6p + GLC[t]/HXKHXK1Kglc + T6P[t]/HXKHXK1Kit6p))
HXKHXK2 = (HXK2*HXKHXK2kcat*(-((ADP[t]*G6P[t])/(HXKHXK2Katp*HXKHXK2Kglc*KeqHXK)) + (ATP[t]*GLC[t])/(HXKHXK2Katp*HXKHXK2Kglc)))/((1 + ADP[t]/HXKHXK2Kadp + ATP[t]/HXKHXK2Katp)*(1 + G6P[t]/HXKHXK2Kg6p + GLC[t]/HXKHXK2Kglc + T6P[t]/HXKHXK2Kit6p))
HXT = (HXTVmax*(GLCx - GLC[t]))/(HXTKglc*(1 + GLCx/HXTKglc + GLC[t]/HXTKglc + (GLCx*HXTKi*GLC[t])/HXTKglc^2))
PDCPDC1 = (PDC1*PDCPDC1kcat*PYR[t])/(PDCPDC1Kpyr*(1 + PYR[t]/PDCPDC1Kpyr))
PDCPDC5 = (PDC5*PDCPDC5kcat*PYR[t])/(PDCPDC5Kpyr*(1 + PYR[t]/PDCPDC5Kpyr))
PDCPDC6 = (PDC6*PDCPDC6kcat*PYR[t])/(PDCPDC6Kpyr*(1 + PYR[t]/PDCPDC6Kpyr))
PFK = (PFKgR*PFKkcat*(PFK1 + PFK2 - Abs[PFK1 - PFK2])*ATP[t]*(1 - (ADP[t]*F16bP[t])/(PFKKeq*ATP[t]*F6P[t]))*F6P[t]*(1 + ADP[t]/PFKKadp + ATP[t]/PFKKatp + F16bP[t]/PFKKf16 + (PFKgR*ADP[t]*F16bP[t])/(PFKKadp*PFKKf16) + F6P[t]/PFKKf6p + (PFKgR*ATP[t]*F6P[t])/(PFKKatp*PFKKf6p)))/(2*PFKKatp*PFKKf6p*((PFKL0*(1 + (PFKCamp*AMP[t])/PFKKamp)^2*(1 + (PFKCatp*ATP[t])/PFKKatp)^2*(1 + (PFKCiatp*ATP[t])/PFKKiatp)^2*(1 + (F26bP*PFKCf26)/PFKKf26 + (PFKCf16*F16bP[t])/PFKKf16)^2)/((1 + AMP[t]/PFKKamp)^2*(1 + ATP[t]/PFKKiatp)^2*(1 + F26bP/PFKKf26 + F16bP[t]/PFKKf16)^2) + (1 + ADP[t]/PFKKadp + ATP[t]/PFKKatp + F16bP[t]/PFKKf16 + (PFKgR*ADP[t]*F16bP[t])/(PFKKadp*PFKKf16) + F6P[t]/PFKKf6p + (PFKgR*ATP[t]*F6P[t])/(PFKKatp*PFKKf6p))^2))
PGI = (PGIVmax*(-(F6P[t]/(PGIKeq*PGIKg6p)) + G6P[t]/PGIKg6p))/(1 + F6P[t]/PGIKf6p + G6P[t]/PGIKg6p)
PGK = (PGKVmax*((ADP[t]*BPG[t])/(PGKKadp*PGKKbpg) - (ATP[t]*P3G[t])/(PGKKadp*PGKKbpg*PGKKeq)))/((1 + ADP[t]/PGKKadp + ATP[t]/PGKKatp)*(1 + BPG[t]/PGKKbpg + P3G[t]/PGKKp3g))
PGM = (PGMVmax*rescaleTRH*(-(G1P[t]/(PGMKeq*PGMKg6p)) + G6P[t]/PGMKg6p))/(1 + G1P[t]/PGMKg1p + G6P[t]/PGMKg6p)
PYK = (PYKVmax*((ADP[t]*PEP[t])/(PYKKadp*PYKKpep) - (ATP[t]*PYR[t])/(PYKKadp*PYKKeq*PYKKpep)))/((1 + ADP[t]/PYKKadp + ATP[t]/PYKKatp)*(1 + PEP[t]/PYKKpep + PYR[t]/PYKKpyr))
TDHTDH1 = (TDH1*TDHTDH1kcat*((GAP[t]*NAD[t])/(TDHTDH1Kgap*TDHTDH1Knad) - (BPG[t]*NADH[t])/(KeqTDH*TDHTDH1Kgap*TDHTDH1Knad)))/((1 + BPG[t]/TDHTDH1Kbpg + GAP[t]/TDHTDH1Kgap)*(1 + NAD[t]/TDHTDH1Knad + NADH[t]/TDHTDH1Knadh))
TDHTDH2 = (TDH2*TDHTDH2kcat*((GAP[t]*NAD[t])/(TDHTDH2Kgap*TDHTDH2Knad) - (BPG[t]*NADH[t])/(KeqTDH*TDHTDH2Kgap*TDHTDH2Knad)))/((1 + BPG[t]/TDHTDH2Kbpg + GAP[t]/TDHTDH2Kgap)*(1 + NAD[t]/TDHTDH2Knad + NADH[t]/TDHTDH2Knadh))
TDHTDH3 = (TDH3*TDHTDH3kcat*((GAP[t]*NAD[t])/(TDHTDH3Kgap*TDHTDH3Knad) - (BPG[t]*NADH[t])/(KeqTDH*TDHTDH3Kgap*TDHTDH3Knad)))/((1 + BPG[t]/TDHTDH3Kbpg + GAP[t]/TDHTDH3Kgap)*(1 + NAD[t]/TDHTDH3Knad + NADH[t]/TDHTDH3Knadh))
TPI = TPIk*(DHAP[t] - GAP[t]/TPIKeq)
TPP = (rescaleTRH*TPPVmax*T6P[t])/(TPPKt6p*(1 + T6P[t]/TPPKt6p))
TPS = (rescaleTRH*TPSVmax*G6P[t]*UDG[t])/(TPSKg6p*TPSKudg*(1 + G6P[t]/TPSKg6p)*(1 + UDG[t]/TPSKudg))
UGP = (rescaleTRH*UGPVmax*G1P[t]*UTP[t])/(UGPKg1p*UGPKutp*(UGPKiutp/UGPKutp + G1P[t]/UGPKg1p + (UGPKiutp*UDG[t])/(UGPKiudg*UGPKutp) + (G1P[t]*UDG[t])/(UGPKg1p*UGPKiudg) + UTP[t]/UGPKutp + (G1P[t]*UTP[t])/(UGPKg1p*UGPKutp)))
acetatebranch = acetatebranchk*AcAld[t]*NAD[t]
succinatebranch = succinatebranchk*NAD[t]*PYR[t]
udptoutp = rescaleTRH*udptoutpk*ATP[t]*UDP[t]
end rate equations

begin parameters
ADH1 = 0.0409771277320022
ADH5 = 0.00106249605621922
ADHKacald = 1.11
ADHKeq = 14492.7536231884
ADHKetoh = 17.0
ADHKiacald = 1.1
ADHKietoh = 90.0
ADHKinad = 0.92
ADHKinadh = 0.031
ADHKnad = 0.17
ADHKnadh = 0.11
ADHVmax = 111.334973497906
AKKeq = 0.45
AKk = 0.75
ATPaseKatp = 3.0
ATPaseVmax = 1.13333333333333
CDC19 = 0.512097526792801
ENO1 = 0.171592988538958
ENO2 = 0.493611573294543
ENOKeq = 6.7
ENOKp2g = 0.04
ENOKpep = 0.5
ENOVmax = 3.36
EXTERNAL = 0.0
F26bP = 0.003
FBA1 = 0.0367018202831552
FBAKdhap = 2.0
FBAKeq = 0.069
FBAKf16bp = 0.3
FBAKgap = 2.4
FBAKigap = 10.0
FBAVmax = 1.57816666666667
GLK1 = 0.0112717406104807
GPD1 = 0.00170877794272468
GPD2 = 0.000198351416606057
GPDKadp = 2.0
GPDKatp = 0.73
GPDKdhap = 0.54
GPDKeq = 10000.0
GPDKfbp = 4.8
GPDKg3p = 1.2
GPDKnad = 0.93
GPDKnadh = 0.023
GPDVmax = 0.783333333333333
GPM1 = 0.182500074724267
GPMKeq = 0.19
GPMKp2g = 0.08
GPMKp3g = 1.2
GPMVmax = 43.0833333333333
GPPKg3p = 3.5
GPPVmax = 0.883333333333333
HOR2 = 0.0013683673909939
HXK1 = 0.0041951864287446
HXK2 = 0.0153328384926289
HXKGLK1Kadp = 0.23
HXKGLK1Katp = 0.865
HXKGLK1Kg6p = 30.0
HXKGLK1Kglc = 0.0106
HXKGLK1kcat = 0.0721
HXKHXK1Kadp = 0.23
HXKHXK1Katp = 0.293
HXKHXK1Kg6p = 30.0
HXKHXK1Kglc = 0.15
HXKHXK1Kit6p = 0.2
HXKHXK1kcat = 10.2
HXKHXK2Kadp = 0.23
HXKHXK2Katp = 0.195
HXKHXK2Kg6p = 30.0
HXKHXK2Kglc = 0.2
HXKHXK2Kit6p = 0.04
HXKHXK2kcat = 63.1
HXTKglc = 0.9
HXTKi = 0.91
HXTVmax = 3.35
KeqHXK = 2000.0
KeqTDH = 0.00533412710224736
NA = "6.02214e+20"
PDC1 = 0.266952694557084
PDC5 = 0.00308868608169189
PDC6 = 0.0016352160527653
PDCPDC1Kpyr = 8.5
PDCPDC1kcat = 12.14
PDCPDC5Kpyr = 7.08
PDCPDC5kcat = 10.32
PDCPDC6Kpyr = 2.92
PDCPDC6kcat = 9.21
PFK1 = 0.0116962574765781
PFK2 = 0.00975915538330228
PFKCamp = 0.0845
PFKCatp = 3.0
PFKCf16 = 0.397
PFKCf26 = 0.0174
PFKCiatp = 100.0
PFKKadp = 1.0
PFKKamp = 0.0995
PFKKatp = 0.71
PFKKeq = 800.0
PFKKf16 = 0.111
PFKKf26 = 0.000682
PFKKf6p = 0.1
PFKKiatp = 0.65
PFKL0 = 0.66
PFKgR = 5.12
PFKkcat = 209.6
PGI1 = 0.0345726768225249
PGIKeq = 0.29
PGIKf6p = 0.3
PGIKg6p = 1.4
PGIVmax = 17.6
PGK1 = 0.0644142281647388
PGKKadp = 0.2
PGKKatp = 0.3
PGKKbpg = 0.003
PGKKeq = 3200.0
PGKKp3g = 0.53
PGKVmax = 259.220125786164
PGM1 = 0.000815573865768647
PGM2 = 0.00031467219294138
PGMKeq = 0.1667
PGMKg1p = 0.023
PGMKg6p = 0.05
PGMVmax = 0.00590833333333333
PYK2 = 0.00151748381804475
PYKKadp = 0.53
PYKKatp = 1.5
PYKKeq = 6500.0
PYKKpep = 0.14
PYKKpyr = 21.0
PYKVmax = 16.6666666666667
RHR2 = 0.0127951193429578
TDH1 = 0.087716160700349
TDH2 = 0.0
TDH3 = 1.05110118662137
TDHTDH1Kbpg = 0.0098
TDHTDH1Kgap = 0.495
TDHTDH1Knad = 0.09
TDHTDH1Knadh = 0.06
TDHTDH1kcat = 19.12
TDHTDH2Kbpg = 0.0098
TDHTDH2Kgap = 0.77
TDHTDH2Knad = 0.09
TDHTDH2Knadh = 0.06
TDHTDH2kcat = 8.633
TDHTDH3Kbpg = 0.909
TDHTDH3Kgap = 0.423
TDHTDH3Knad = 0.09
TDHTDH3Knadh = 0.06
TDHTDH3kcat = 18.162
TPI1 = 0.073589454911377
TPIKeq = 0.045
TPIk = 7500.0
TPPKt6p = 0.5
TPPVmax = 0.108333333333333
TPS1 = 0.000848120435592663
TPS2 = 0.000664962953368736
TPSKg6p = 3.8
TPSKudg = 0.886
TPSVmax = 0.02285
UGP1 = 0.00155052854965178
UGPKg1p = 0.32
UGPKiudg = 0.0035
UGPKiutp = 0.11
UGPKutp = 0.11
UGPVmax = 0.613666666666667
acetatebranchk = 0.00554339592436782
cell = 1.0
extracellular = 1.0
rescaleTRH = 38.8857
succinatebranchk = 0.00549663630823988
sumAXP = 6.02
sumNAD = 1.59
sumUXP = 1.39784619487425
udptoutpk = 0.00345026988011002
volume = "2e-14"
ACE = 55.7500633495734
EtOH = 55.472577854384
GLCx = 74.0
GLY = 0.15
SUC = 0.0
TRH = 0.00384697134241316
defaultcompartment = 1.0
end parameters

begin initial conditions
ADP[0] = ADPi
AMP[0] = AMPi
ATP[0] = ATPi
AcAld[0] = AcAldi
BPG[0] = BPGi
DHAP[0] = DHAPi
F16bP[0] = F16bPi
F6P[0] = F6Pi
G1P[0] = G1Pi
G3P[0] = G3Pi
G6P[0] = G6Pi
GAP[0] = GAPi
GLC[0] = GLCi
NAD[0] = NADi
NADH[0] = NADHi
P2G[0] = P2Gi
P3G[0] = P3Gi
PEP[0] = PEPi
PYR[0] = PYRi
T6P[0] = T6Pi
UDG[0] = UDGi
UDP[0] = UDPi
UTP[0] = UTPi
end initial conditions

begin initial values
ADPi = 1.29
AMPi = 0.44
ATPi = 4.29
AcAldi = 0.178140579850657
BPGi = 0.000736873499865602
DHAPi = 0.290344213186674
F16bPi = 1.14580464751733
F6Pi = 0.0588603054728053
G1Pi = 0.13481212658623
G3Pi = 0.068500732297821
G6Pi = 0.193120800911304
GAPi = 0.0789727571926259
GLCi = 1.5700004483456
NADi = 1.50329030201531
NADHi = 0.0867096979846952
P2Gi = 0.0169344770274836
P3Gi = 0.117456252783611
PEPi = 0.152501353339511
PYRi = 0.527117851793548
T6Pi = 0.02
UDGi = 0.467246194874247
UDPi = 0.2815
UTPi = 0.6491
end initial values

begin assignment rules
energycharge := (ADP[t]/2 + ATP[t])/sumAXP
sumPXG := P2G[t] + P3G[t]
fitconc := Sqrt[(1 - (NA*sumPXG*volume)/1618640)^2 + (1 - (NA*volume*DHAP[t])/3496987)^2 + (1 - (NA*volume*F16bP[t])/13800392)^2 + (1 - (NA*volume*F6P[t])/708930)^2 + (1 - (NA*volume*G6P[t])/2326001)^2 + (1 - (NA*volume*GAP[t])/951170)^2 + (1 - (NA*volume*GLC[t])/18909525)^2 + (1 - (NA*volume*PEP[t])/1836769)^2 + (1 - (NA*volume*PYR[t])/6348755)^2]/Sqrt[3]
end assignment rules

begin function definitions
end function definitions

begin events
end events

begin process annotations
end process annotations

begin species annotations
end species annotations

begin units
end units