#dupreez3



#reactions
v_ADH:
 {1.0}ACE + {1.0}NADH = $pool
  -(VmADH * (ETOH * NAD - ACE * NADH / KeqADH) / (KiADHNAD * KmADHETOH * (1 + ETOH * KmADHNAD / (KiADHNAD * KmADHETOH) + KmADHNADH * ACE / (KiADHNADH * KmADHACE) + NAD / KiADHNAD + ETOH * NAD / (KiADHNAD * KmADHETOH) + ETOH * ACE * NAD / (KiADHACE * KiADHNAD * KmADHETOH) + KmADHNADH * ACE * NAD / (KiADHNAD * KiADHNADH * KmADHACE) + NADH / KiADHNADH + ETOH * KmADHNAD * NADH / (KiADHNAD * KiADHNADH * KmADHETOH) + ACE * NADH / (KiADHNADH * KmADHACE) + ETOH * ACE * NADH / (KiADHETOH * KiADHNADH * KmADHACE))))
v_AK:
 $pool = {1.0}AMP + {1.0}ATP
  133.333 * AKopt * (ADP**2 - AMP * ATP / KeqAK)
v_ALD:
 {1.0}F16P = {2.0}TRIO
  (VmALD*(F16P - (KeqTPI*TRIO**2)/(KeqALD*(1 + KeqTPI)**2)))/(KmALDF16P*(1 + F16P/KmALDF16P + TRIO/((1 + KeqTPI)*KmALDDHAP) + (KeqTPI*TRIO)/((1 + KeqTPI)*KmALDGAP) + (KeqTPI*F16P*TRIO)/((1 + KeqTPI)*KmALDF16P*KmALDGAPi) + (KeqTPI*TRIO**2)/((1 + KeqTPI)**2*KmALDDHAP*KmALDGAP)))
v_ATP:
 {1.0}ATP = $pool
  (KATPASE*ATP**nATP)/(KmATP**nATP + ATP**nATP)
v_ENO:
 {1.0}P2G = {1.0}PEP
  (VmENO*(P2G - PEP/KeqENO))/(KmENOP2G*(1 + P2G/KmENOP2G + PEP/KmENOPEP))
v_G3PA:
 {1.0}G3P = $pool
  (VmG3PA*G3P)/(KmG3PAG3P*(1 + Phi/KmG3PAPhi)*(1 + G3P/KmG3PAG3P))
v_G3PDH:
 {1.0}NADH + {1.0}TRIO = {1.0}G3P
  VmG3PDH * (-(G3P * NAD / KeqG3PDH) + NADH * TRIO / (1 + KeqTPI)) / (KmG3PDHDHAP * KmG3PDHNADH * (1 + ADP / KmG3PDHADP + ATP / KmG3PDHATP + F16P / KmG3PDHF16P) * (1 + NAD / KmG3PDHNAD + NADH / KmG3PDHNADH) * (1 + G3P / KmG3PDHG3P + TRIO / ((1 + KeqTPI) * KmG3PDHDHAP)))
v_GAPDH:
 {1.0}TRIO = {1.0}BPG + {1.0}NADH
  (-(VmGAPDHf * BPG * NADH / (KeqGAPDH * KmGAPDHGAP * KmGAPDHNAD)) + KeqTPI * VmGAPDHf * NAD * TRIO / ((1 + KeqTPI) * KmGAPDHGAP * KmGAPDHNAD)) / ((1 + NAD / KmGAPDHNAD + NADH / KmGAPDHNADH) * (1 + BPG / KmGAPDHBPG + KeqTPI * TRIO / ((1 + KeqTPI) * KmGAPDHGAP)))
v_GLK:
 {1.0}ATP + {1.0}GLCi = {1.0}G6P
  VmGLK * (-(ADP * G6P / KeqGLK) + ATP * GLCi) / (KmGLKATP * KmGLKGLCi * (1 + ADP / KmGLKADP + ATP / KmGLKATP) * (1 + G6P / KmGLKG6P + GLCi / KmGLKGLCi))
v_GLT:
 $pool = {1.0}GLCi
  (VmGLT*(GLCo - GLCi/KeqGLT))/(KmGLTGLCo*(1 + GLCo/KmGLTGLCo + GLCi/KmGLTGLCi + (alpha*GLCo*GLCi)/(KmGLTGLCi*KmGLTGLCo)))
v_GLYCO:
 {1.0}ATP + {1.0}G6P = $pool
  KGLYCOGEN*ATP*G6P
v_PDC:
 {1.0}PYR = {1.0}ACE
  (VmPDC*PYR**nPDC)/(KmPDCPYR**nPDC*(1 + PYR**nPDC/KmPDCPYR**nPDC))
v_PFK:
 {1.0}ATP + {1.0}F6P = {1.0}F16P
  (gR*VmPFK*ATP*F6P*(1 + ATP/KmPFKATP + F6P/KmPFKF6P + (gR*ATP*F6P)/(KmPFKATP*KmPFKF6P)))/(KmPFKATP*KmPFKF6P*((L0*(1 + (CPFKAMP*AMP)/KPFKAMP)**2*(1 + (CiPFKATP*ATP)/KiPFKATP)**2*(1 + (CPFKATP*ATP)/KmPFKATP)**2*(1 + (CPFKF26BP*F26BP)/KPFKF26BP + (CPFKF16BP*F16P)/KPFKF16BP)**2)/((1 + AMP/KPFKAMP)**2*(1 + ATP/KiPFKATP)**2*(1 + F26BP/KPFKF26BP + F16P/KPFKF16BP)**2) + (1 + ATP/KmPFKATP + F6P/KmPFKF6P + (gR*ATP*F6P)/(KmPFKATP*KmPFKF6P))**2))
v_PGI:
 {1.0}G6P = {1.0}F6P
  (VmPGI*(-(F6P/KeqPGI) + G6P))/(KmPGIG6P*(1 + F6P/KmPGIF6P + G6P/KmPGIG6P))
v_PGK:
 {1.0}BPG = {1.0}ATP + {1.0}P3G
  VmPGK * (KeqPGK * ADP * BPG - ATP * P3G) / (KmPGKATP * KmPGKP3G * (1 + ADP / KmPGKADP + ATP / KmPGKATP) * (1 + BPG / KmPGKBPG + P3G / KmPGKP3G))
v_PGM:
 {1.0}P3G = {1.0}P2G
  (VmPGM*(-(P2G/KeqPGM) + P3G))/(KmPGMP3G*(1 + P2G/KmPGMP2G + P3G/KmPGMP3G))
v_PYK:
 {1.0}PEP = {1.0}ATP + {1.0}PYR
  VmPYK * (ADP * PEP - ATP * PYR / KeqPYK) / (KmPYKADP * KmPYKPEP * (1 + ADP / KmPYKADP + ATP / KmPYKATP) * (1 + PEP / KmPYKPEP + PYR / KmPYKPYR))
v_SUC:
 {2.0}ACE + {4.0}ATP = {3.0}NADH
  KSUCC*ACE
v_Treha:
 {1.0}ATP + {2.0}G6P = $pool
  KTREHALOSE*ATP*G6P


#parameters
AKopt = 0.669027384631504
AXPsum = 4.1
CPFKAMP = 0.0703733354872318
CPFKATP = 3.92007230818607
CPFKF16BP = 0.497287747227918
CPFKF26BP = 0.0169045870014536
CiPFKATP = 129.944855330581
ETOH = 50.0
EXTERNAL = 0.0
F26BP = 0.02
GLCo = 20.0
KATPASE = 42.0705769854329
KGLYCOGEN = 0.977472520682727
KPFKAMP = 0.0953464313885568
KPFKF16BP = 0.0910578202022938
KPFKF26BP = 0.000788204396870689
KSUCC = 16.68508899926
KTREHALOSE = 0.500616814711998
KeqADH = 6.9e-05
KeqAK = 0.45
KeqALD = 0.069
KeqENO = 6.7
KeqG3PDH = 4300.0
KeqGAPDH = 0.00562639062770364
KeqGLK = 3800.0
KeqGLT = 1.0
KeqPGI = 0.314
KeqPGK = 3200.0
KeqPGM = 0.19
KeqPYK = 6500.0
KeqTPI = 0.045
KiADHACE = 1.06069180458452
KiADHETOH = 86.6964879095848
KiADHNAD = 0.929334305364439
KiADHNADH = 0.0281954142935579
KiPFKATP = 0.629349743346242
KmADHACE = 1.07248685047976
KmADHETOH = 17.2456286627476
KmADHNAD = 0.166769639219937
KmADHNADH = 0.105656811657223
KmALDDHAP = 2.31373624578339
KmALDF16P = 0.290710055001503
KmALDGAP = 1.92661390756668
KmALDGAPi = 9.63179022883364
KmATP = 0.235555853813508
KmENOP2G = 0.0366500838590152
KmENOPEP = 0.485374038512661
KmG3PAG3P = 4.19774181864929
KmG3PAPhi = 0.752086905478373
KmG3PDHADP = 1.45931578303823
KmG3PDHATP = 0.520892324585364
KmG3PDHDHAP = 0.417843988956108
KmG3PDHF16P = 4.42804700123956
KmG3PDHG3P = 1.014284409772
KmG3PDHNAD = 0.855229911902209
KmG3PDHNADH = 0.0244080593501774
KmGAPDHBPG = 0.0103571131911046
KmGAPDHGAP = 0.169036456827137
KmGAPDHNAD = 0.0836010430272397
KmGAPDHNADH = 0.060976295368858
KmGLKADP = 0.253545174984255
KmGLKATP = 0.123817018291608
KmGLKG6P = 29.0056944225839
KmGLKGLCi = 0.0697345487083755
KmGLTGLCi = 1.25861629411934
KmGLTGLCo = 1.11844371774078
KmPDCPYR = 4.24956584535036
KmPFKATP = 0.66667696421218
KmPFKF6P = 0.128662486563679
KmPGIF6P = 0.2794876594961
KmPGIG6P = 1.35840250049127
KmPGKADP = 0.193439959393382
KmPGKATP = 0.28803020122741
KmPGKBPG = 0.00290885157187471
KmPGKP3G = 0.495134254954938
KmPGMP2G = 0.0779767804899997
KmPGMP3G = 1.11080591289804
KmPYKADP = 0.475697546620804
KmPYKATP = 1.51813362449153
KmPYKPEP = 0.127016742234385
KmPYKPYR = 20.4730221085492
L0 = 0.739254244885314
NADSUM = 1.0
Phi = 1.20470265921072
VmADH = 479.951176287046
VmALD = 150.282822785562
VmENO = 350.467207519718
VmG3PA = 36.0054380978204
VmG3PDH = 25.2034727708702
VmGAPDHf = 324.941804213337
VmGLK = 286.092955831363
VmGLT = 63.4244580249427
VmPDC = 169.130966780205
VmPFK = 136.836946410547
VmPGI = 315.470814576513
VmPGK = 1030.09847797527
VmPGM = 2007.9381605905
VmPYK = 1329.62417575784
alpha = 0.91
biomassFac = 0.720903608283592
gR = 3.5972036851668
nATP = 1.0
nPDC = 1.88297482037065
default_compartment = 1.0


#initial values
ACE = 0.020961620573545
AMP = 0.735086409252821
ATP = 1.71151931449073
BPG = 8.59865417775755e-05
F16P = 8.44097120440662
F6P = 0.578946953777943
G3P = 0.85406872398333
G6P = 2.83285776994039
GLCi = 0.0363872606459786
NADH = 0.298484471521169
P2G = 0.0145743573339282
P3G = 0.134803835263793
PEP = 0.0170684820602329
PYR = 4.00163453632936
TRIO = 3.13659774869995


#assignment rules
!F ADP = AXPsum - AMP - ATP
!F NAD = NADSUM - NADH