#kouril1 FIX: GAP PYR #reactions v_1: {1.0}NADP + {1.0}GAP = {1.0}BPG + {1.0}NADPH (VmfGAPDH * GAP * NADP / (KmGAPDHGAP * KmGAPDHNADP) - VmbGAPDH * BPG * NADPH / (KmGAPDHBPG * KmGAPDHNADPH)) / ((1 + GAP / KmGAPDHGAP + BPG / KmGAPDHBPG) * (1 + NADP / KmGAPDHNADP + NADPH / KmGAPDHNADPH)) v_2: {1.0}BPG = {1.0}P3G + {1.0}Prb VmPGK * (KeqPGK * BPG * (SUMAXP - pow(pow(SUMAXP, 2) - 2 * SUMAXP * Prb + 8 * KeqAK * SUMAXP * Prb + pow(Prb, 2) - 4 * KeqAK * pow(Prb, 2), 0.5)) / (1 - 4 * KeqAK) - (-SUMAXP + Prb - 4 * KeqAK * Prb + pow(pow(SUMAXP, 2) - 2 * SUMAXP * Prb + 8 * KeqAK * SUMAXP * Prb + pow(Prb, 2) - 4 * KeqAK * pow(Prb, 2), 0.5)) * P3G / (2 - 8 * KeqAK)) / (KmPGKATP * KmPGKP3G * (1 + (SUMAXP - pow(pow(SUMAXP, 2) - 2 * SUMAXP * Prb + 8 * KeqAK * SUMAXP * Prb + pow(Prb, 2) - 4 * KeqAK * pow(Prb, 2), 0.5)) / ((1 - 4 * KeqAK) * KmPGKADP) + (-SUMAXP + Prb - 4 * KeqAK * Prb + pow(pow(SUMAXP, 2) - 2 * SUMAXP * Prb + 8 * KeqAK * SUMAXP * Prb + pow(Prb, 2) - 4 * KeqAK * pow(Prb, 2), 0.5)) / ((2 - 8 * KeqAK) * KmPGKATP)) * (1 + BPG / KmPGKBPG + P3G / KmPGKP3G)) v_3: {1.0}P3G = {1.0}P2G VmPGAM / KmPGAMP3G * (P3G - P2G / KeqPGAM) / (1 + P3G / KmPGAMP3G + P2G / KmPGAMP2G) v_4: {1.0}P2G = {1.0}PEP VmENO / KmENOP2G * (P2G - PEP / KeqENO) / (1 + P2G / KmENOP2G + PEP / KmENOPEP) v_5: {1.0}PEP = {1.0}Prb + {1.0}PYR VmPYK / (KmPYKPEP * KmPYKADP) * (PEP * (SUMAXP - pow(pow(Prb, 2) - 4 * KeqAK * pow(Prb, 2) - 2 * Prb * SUMAXP + 8 * KeqAK * Prb * SUMAXP + pow(SUMAXP, 2), 0.5)) / (1 - 4 * KeqAK) - PYR * ((Prb - 4 * KeqAK * Prb - SUMAXP + pow(pow(Prb, 2) - 4 * KeqAK * pow(Prb, 2) - 2 * Prb * SUMAXP + 8 * KeqAK * Prb * SUMAXP + pow(SUMAXP, 2), 0.5)) / (2 - 8 * KeqAK)) / KeqPYK) / ((1 + PEP / KmPYKPEP + PYR / KmPYKPYR) * (1 + (Prb - 4 * KeqAK * Prb - SUMAXP + pow(pow(Prb, 2) - 4 * KeqAK * pow(Prb, 2) - 2 * Prb * SUMAXP + 8 * KeqAK * Prb * SUMAXP + pow(SUMAXP, 2), 0.5)) / (2 - 8 * KeqAK) / KmPYKATP + (SUMAXP - pow(pow(Prb, 2) - 4 * KeqAK * pow(Prb, 2) - 2 * Prb * SUMAXP + 8 * KeqAK * Prb * SUMAXP + pow(SUMAXP, 2), 0.5)) / (1 - 4 * KeqAK) / KmPYKADP)) v_6: {1.0}NADPH = {1.0}NADP k1*NADPH v_7: {1.0}BPG = {1.0}P3G k99*BPG v_8: {1.0}NADP + {1.0}GAP = {1.0}NADPH + {1.0}P3G Vm * GAP * NADP / (Kms17 * Kms27) / ((1 + GAP / Kms17) * (1 + NADP / Kms27)) v_9: {1.0}Prb = $pool k8*Prb #parameters KeqAK = 0.45 KeqENO = 6.7 KeqG3PDH = 4300.0 KeqPGAM = 0.19 KeqPGK = 3200.0 KeqPYK = 6500.0 KmENOP2G = 0.04 KmENOPEP = 0.5 KmGAPDHBPG = 92.4 KmGAPDHGAP = 4.6 KmGAPDHNADP = 0.31 KmGAPDHNADPH = 0.025 KmPGAMP2G = 0.08 KmPGAMP3G = 1.2 KmPGKADP = 0.2 KmPGKATP = 0.3 KmPGKBPG = 0.003 KmPGKP3G = 0.53 KmPYKADP = 0.113 KmPYKATP = 1.5 KmPYKPEP = 0.26 KmPYKPYR = 21.0 Kms17 = 1.0 Kms27 = 0.18 SUMAXP = 4.1 Vm = 0.0 VmENO = 365.806 VmPGAM = 2525.81 VmPGI = 339.677 VmPGK = 1306.45 VmPYK = 40.0 VmbGAPDH = 66.0 VmfGAPDH = 66.0 k1 = 170.0 k8 = 2.005 k99 = 0.0 GAP = 0.77 PYR = 8.5 default_compartment = 1.0 #initial values BPG = 5.2237048281e-05 NADP = 1.54287095 NADPH = 0.037129052 P2G = 0.0146943 P3G = 0.081090648 PEP = 0.091284474 Prb = 6.2961983 #assignment rules