#pritchard1

FIX: CO2 EtOH F26bP GLCo Glycerol Glycogen Succinate Trehalose

#reactions
ADH:
 {1.0}NAD + {1.0}EtOH = {1.0}NADH + {1.0}AcAld
  cell * Vmax_13 * (EtOH * NAD / (Ketoh_13 * Kinad_13) - AcAld * NADH / (Ketoh_13 * Kinad_13 * Keq_13)) / (1 + NAD / Kinad_13 + EtOH * Knad_13 / (Kinad_13 * Ketoh_13) + AcAld * Knadh_13 / (Kinadh_13 * Kacald_13) + NADH / Kinadh_13 + EtOH * NAD / (Kinad_13 * Ketoh_13) + NAD * AcAld * Knadh_13 / (Kinad_13 * Kinadh_13 * Kacald_13) + EtOH * NADH * Knad_13 / (Kinad_13 * Kinadh_13 * Ketoh_13) + AcAld * NADH / (Kacald_13 * Kinadh_13) + EtOH * NAD * AcAld / (Kinad_13 * Kiacald_13 * Ketoh_13) + EtOH * AcAld * NADH / (Kietoh_13 * Kinadh_13 * Kacald_13))
AK:
 {2.0}ADP = {1.0}ATP + {1.0}AMP
  cell * (k1_15 * ADP * ADP - k2_15 * ATP * AMP)
ALD:
 {1.0}F16bP = {1.0}DHAP + {1.0}GAP
  cell * Vmax_5 * (F16bP / Kf16bp_5 - DHAP * GAP / (Kf16bp_5 * Keq_5)) / (1 + F16bP / Kf16bp_5 + DHAP / Kdhap_5 + GAP / Kgap_5 + F16bP * GAP / (Kf16bp_5 * Kigap_5) + DHAP * GAP / (Kdhap_5 * Kgap_5))
ATPase:
 {1.0}ATP = {1.0}ADP
  cell * Katpase_14 * ATP
ENO:
 {1.0}P2G = {1.0}PEP
  cell * Vmax_10 * (P2G / Kp2g_10 - PEP / (Kp2g_10 * Keq_10)) / (1 + P2G / Kp2g_10 + PEP / Kpep_10)
G3PDH:
 {1.0}DHAP + {1.0}NADH = {1.0}NAD + {1.0}Glycerol
  cell * Vmax_16 * (DHAP / Kdhap_16 * (NADH / Knadh_16) - Glycerol / Kdhap_16 * (NAD / Knadh_16) * (1 / Keq_16)) / ((1 + DHAP / Kdhap_16 + Glycerol / Kglycerol_16) * (1 + NADH / Knadh_16 + NAD / Knad_16))
GAPDH:
 {1.0}GAP + {1.0}NAD = {1.0}BPG + {1.0}NADH
  cell * C_7 * (Vmaxf_7 * GAP * NAD / (Kgap_7 * Knad_7) - Vmaxr_7 * BPG * NADH / (Kbpg_7 * Knadh_7)) / ((1 + GAP / Kgap_7 + BPG / Kbpg_7) * (1 + NAD / Knad_7 + NADH / Knadh_7))
Glycogen_Branch:
 {1.0}ATP + {1.0}G6P = {1.0}ADP + {1.0}Glycogen
  cell * KGLYCOGEN_17
HK:
 {1.0}GLCi + {1.0}ATP = {1.0}G6P + {1.0}ADP
  cell * Vmax_2 * (GLCi * ATP / (Kglc_2 * Katp_2) - G6P * ADP / (Kglc_2 * Katp_2 * Keq_2)) / ((1 + GLCi / Kglc_2 + G6P / Kg6p_2) * (1 + ATP / Katp_2 + ADP / Kadp_2))
HXT:
 {1.0}GLCo = {1.0}GLCi
  Vmax_1 * (GLCo - GLCi) / Kglc_1 / (1 + (GLCo + GLCi) / Kglc_1 + Ki_1 * GLCo * GLCi / pow(Kglc_1, 2))
PDC:
 {1.0}PYR = {1.0}AcAld + {1.0}CO2
  cell * Vmax_12 * pow(PYR / Kpyr_12, nH_12) / (1 + pow(PYR / Kpyr_12, nH_12))
PFK:
 {1.0}ATP + {1.0}F6P = {1.0}ADP + {1.0}F16bP
  cell * Vmax_4 * (gR_4 * (F6P / Kf6p_4) * (ATP / Katp_4) * (1 + F6P / Kf6p_4 + ATP / Katp_4 + gR_4 * F6P / Kf6p_4 * ATP / Katp_4) / (pow(1 + F6P / Kf6p_4 + ATP / Katp_4 + gR_4 * F6P / Kf6p_4 * ATP / Katp_4, 2) + L0_4 * pow((1 + Ciatp_4 * ATP / Kiatp_4) / (1 + ATP / Kiatp_4), 2) * pow((1 + Camp_4 * AMP / Kamp_4) / (1 + AMP / Kamp_4), 2) * pow((1 + Cf26_4 * F26bP / Kf26_4 + Cf16_4 * F16bP / Kf16_4) / (1 + F26bP / Kf26_4 + F16bP / Kf16_4), 2) * pow(1 + Catp_4 * ATP / Katp_4, 2)))
PGI:
 {1.0}G6P = {1.0}F6P
  cell * Vmax_3 * (G6P / Kg6p_3 - F6P / (Kg6p_3 * Keq_3)) / (1 + G6P / Kg6p_3 + F6P / Kf6p_3)
PGK:
 {1.0}ADP + {1.0}BPG = {1.0}ATP + {1.0}P3G
  cell * Vmax_8 * ((Keq_8 * BPG * ADP - P3G * ATP) / (Kp3g_8 * Katp_8)) / ((1 + BPG / Kbpg_8 + P3G / Kp3g_8) * (1 + ADP / Kadp_8 + ATP / Katp_8))
PGM:
 {1.0}P3G = {1.0}P2G
  cell * Vmax_9 * (P3G / Kp3g_9 - P2G / (Kp3g_9 * Keq_9)) / (1 + P3G / Kp3g_9 + P2G / Kp2g_9)
PYK:
 {1.0}ADP + {1.0}PEP = {1.0}ATP + {1.0}PYR
  cell * Vmax_11 * (PEP * ADP / (Kpep_11 * Kadp_11) - PYR * ATP / (Kpep_11 * Kadp_11 * Keq_11)) / ((1 + PEP / Kpep_11 + PYR / Kpyr_11) * (1 + ADP / Kadp_11 + ATP / Katp_11))
Succinate_Branch:
 {3.0}NAD + {2.0}AcAld = {3.0}NADH + {1.0}Succinate
  cell * k_19 * AcAld
TPI:
 {1.0}DHAP = {1.0}GAP
  cell * (k1_6 * DHAP - k2_6 * GAP)
Trehalose_Branch:
 {1.0}ATP + {2.0}G6P = {1.0}ADP + {1.0}Trehalose
  cell * Ktrehalose_18


#parameters
CO2 = 1.0
EtOH = 50.0
F26bP = 0.02
GLCo = 2.0
Glycerol = 0.15
Glycogen = 0.0
Succinate = 0.0
Trehalose = 0.0
AK_k2_15 = 100.0
G3PDH_Vmax_16 = 47.11
G3PDH_Kdhap_16 = 0.4
G3PDH_Knadh_16 = 0.023
G3PDH_Keq_16 = 4300.0
HXT_Vmax_1 = 97.24
HXT_Kglc_1 = 1.1918
HXT_Ki_1 = 0.91
HK_Vmax_2 = 236.7
HK_Kglc_2 = 0.08
HK_Katp_2 = 0.15
HK_Keq_2 = 2000.0
HK_Kg6p_2 = 30.0
HK_Kadp_2 = 0.23
PGI_Vmax_3 = 1056.0
PGI_Kg6p_3 = 1.4
PGI_Keq_3 = 0.29
PGI_Kf6p_3 = 0.3
PFK_Vmax_4 = 110.0
PFK_gR_4 = 5.12
PFK_Kf6p_4 = 0.1
PFK_Katp_4 = 0.71
PFK_L0_4 = 0.66
PFK_Ciatp_4 = 100.0
PFK_Kiatp_4 = 0.65
PFK_Camp_4 = 0.0845
PFK_Kamp_4 = 0.0995
PFK_Cf26_4 = 0.0174
PFK_Kf26_4 = 0.000682
PFK_Cf16_4 = 0.397
PFK_Kf16_4 = 0.111
PFK_Catp_4 = 3.0
ALD_Vmax_5 = 94.69
ALD_Kf16bp_5 = 0.3
ALD_Keq_5 = 0.069
ALD_Kdhap_5 = 2.0
ALD_Kgap_5 = 2.4
ALD_Kigap_5 = 10.0
TPI_k1_6 = 450000.0
TPI_k2_6 = 10000000.0
GAPDH_C_7 = 1.0
GAPDH_Vmaxf_7 = 1152.0
GAPDH_Kgap_7 = 0.21
GAPDH_Knad_7 = 0.09
GAPDH_Vmaxr_7 = 6719.0
GAPDH_Kbpg_7 = 0.0098
GAPDH_Knadh_7 = 0.06
PGK_Vmax_8 = 1288.0
PGK_Keq_8 = 3200.0
PGK_Kp3g_8 = 0.53
PGK_Katp_8 = 0.3
PGK_Kbpg_8 = 0.003
PGK_Kadp_8 = 0.2
PGM_Vmax_9 = 2585.0
PGM_Kp3g_9 = 1.2
PGM_Keq_9 = 0.19
PGM_Kp2g_9 = 0.08
ENO_Vmax_10 = 201.6
ENO_Kp2g_10 = 0.04
ENO_Keq_10 = 6.7
ENO_Kpep_10 = 0.5
PYK_Vmax_11 = 1000.0
PYK_Kpep_11 = 0.14
PYK_Kadp_11 = 0.53
PYK_Keq_11 = 6500.0
PYK_Kpyr_11 = 21.0
PYK_Katp_11 = 1.5
PDC_Vmax_12 = 857.8
PDC_Kpyr_12 = 4.33
PDC_nH_12 = 1.9
ADH_Vmax_13 = 209.5
ADH_Ketoh_13 = 17.0
ADH_Kinad_13 = 0.92
ADH_Keq_13 = 6.9e-05
ADH_Knad_13 = 0.17
ADH_Knadh_13 = 0.11
ADH_Kinadh_13 = 0.031
ADH_Kacald_13 = 1.11
ADH_Kiacald_13 = 1.1
ADH_Kietoh_13 = 90.0
ATPase_Katpase_14 = 39.5
AK_k1_15 = 45.0
G3PDH_Kglycerol_16 = 1.0
G3PDH_Knad_16 = 0.93
Glycogen_Branch_KGLYCOGEN_17 = 6.0
Trehalose_Branch_Ktrehalose_18 = 2.4
Succinate_Branch_k_19 = 21.4
cell = 1.0
ext = 1.0


#initial values
ADP = 1.28198768168719
AMP = 0.292884853320091
ATP = 2.52512746499271
AcAld = 0.178140579850657
BPG = 0.000736873499865602
DHAP = 1.00415254899644
F16bP = 6.22132076069411
F6P = 0.624976405532373
G6P = 2.67504014044787
GAP = 0.0451809175780963
GLCi = 0.097652231064563
NAD = 1.50329030201531
NADH = 0.0867096979846952
P2G = 0.127695817386632
P3G = 0.885688538360659
PEP = 0.0632352144936527
PYR = 1.81531251192736


#assignment rules