#dupreez4



#reactions
v_ACEt:
 {1.0}ACE = {0.02}ACEo
  optACEt*kACEt*(ACE - ACEo)
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_LACTO:
 {1.0}ACEo = $pool
  optLACTO*CN*kLACTO*ACEo
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:
 {2.0}G6P + {1.0}ATP = $pool
  KTREHALOSE * ATP * G6P


#parameters
AKopt = 0.538823362397066
AXPsum = 4.1
CN = 5.0
CPFKAMP = 0.0619066304454687
CPFKATP = 4.11927102035743
CPFKF16BP = 0.508729452985175
CPFKF26BP = 0.0166446192764381
CiPFKATP = 133.997614964125
ETOH = 50.0
EXTERNAL = 0.0
F26BP = 0.02
GLCo = 20.0
KATPASE = 38.3151546531701
KGLYCOGEN = 0.657952839162031
KPFKAMP = 0.0908240053852103
KPFKF16BP = 0.0867303342326532
KPFKF26BP = 0.000809438316573068
KSUCC = 15.5243973118548
KTREHALOSE = 0.35532683402403
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 = 1.10269434597499
KiADHETOH = 87.5197712783722
KiADHNAD = 0.994086925030065
KiADHNADH = 0.0266112112630811
KiPFKATP = 0.672261990665842
KmADHACE = 1.08640493765421
KmADHETOH = 17.873472130943
KmADHNAD = 0.173151837494663
KmADHNADH = 0.106028057123405
KmALDDHAP = 2.35279569817395
KmALDF16P = 0.289978616714069
KmALDGAP = 2.03507983684522
KmALDGAPi = 10.1050124140839
KmATP = 0.226775365195371
KmENOP2G = 0.0384298786845413
KmENOPEP = 0.48718115014322
KmG3PAG3P = 4.36779649390928
KmG3PAPhi = 0.784145076398265
KmG3PDHADP = 1.66742704847041
KmG3PDHATP = 0.477041600990239
KmG3PDHDHAP = 0.434945788250048
KmG3PDHF16P = 5.39383791442381
KmG3PDHG3P = 0.989904702292856
KmG3PDHNAD = 0.864230959749687
KmG3PDHNADH = 0.024866434215201
KmGAPDHBPG = 0.0105501300482522
KmGAPDHGAP = 0.126014064354562
KmGAPDHNAD = 0.0877156866078506
KmGAPDHNADH = 0.0560916256777303
KmGLKADP = 0.263092658044569
KmGLKATP = 0.122952862202984
KmGLKG6P = 29.9047243861895
KmGLKGLCi = 0.070544843764403
KmGLTGLCi = 1.2601958510505
KmGLTGLCo = 1.14781100891666
KmPDCPYR = 2.71686030412305
KmPFKATP = 0.639382516791221
KmPFKF6P = 0.136442544726107
KmPGIF6P = 0.288898425005336
KmPGIG6P = 1.31111953478591
KmPGKADP = 0.195235190263297
KmPGKATP = 0.307178610015771
KmPGKBPG = 0.0030168048178011
KmPGKP3G = 0.515383408435942
KmPGMP2G = 0.0816972711677167
KmPGMP3G = 1.1653123960473
KmPYKADP = 0.423287756657824
KmPYKATP = 1.67932644936778
KmPYKPEP = 0.114687461199323
KmPYKPYR = 21.2875778903632
L0 = 0.744428179041052
NADSUM = 1.0
Phi = 1.20470265921072
VmADH = 329.310550256221
VmALD = 115.755229155784
VmENO = 276.012216851944
VmG3PA = 28.7585800442532
VmG3PDH = 19.8677206272709
VmGAPDHf = 279.717235797774
VmGLK = 229.681980633949
VmGLT = 43.9573369352783
VmPDC = 209.10016696
VmPFK = 127.540676183333
VmPGI = 274.363965785613
VmPGK = 797.96096752776
VmPGM = 1591.55726747429
VmPYK = 1223.18615050541
alpha = 0.91
gR = 3.47651271426468
kACEt = 1431.0
kLACTO = 0.09
nATP = 1.0
nPDC = 2.3801892387344
optACEt = 0.566678504048252
optLACTO = 0.566678504048252
yvol = 50.0
default_compartment = 1.0


#initial values
ACE = 0.0204796335883082
ACEo = 0.0199832348425703
AMP = 0.815615549032524
ATP = 1.60200361393713
BPG = 8.04607071179563e-05
F16P = 7.88018175756601
F6P = 0.494145977137238
G3P = 0.898510944946246
G6P = 2.26358698183118
GLCi = 0.030050982468921
NADH = 0.390801474565893
P2G = 0.0132315645673044
P3G = 0.126790594836765
PEP = 0.0104013226052447
PYR = 1.87974762229335
TRIO = 3.03393493804436


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