METATOOL OUTPUT (double) Version 4.9.2 ./doubletool INPUT FILE: 15.3_semglyd.txt INTERNAL METABOLITES: 88 EXTERNAL METABOLITES: 5 REACTIONS: 89 41 int ADP 41 int ATP 39 int NADP 39 int NADPH 20 int GLU 20 external CO2 19 int CoASH 16 int AcCoA 14 int KG2 13 int NAD 13 int NADH 13 int ASP 11 int PIR 11 int GLN 11 int SER 8 int G3P 8 int PEP 8 int Rb5P 7 int G6P 7 int Fum 7 int GLY 7 external NH3 7 external O2 6 int CTP 5 int E4P 5 int F6P 5 int OAA 5 int Suc 5 int C10 4 int DHP 4 int SucCoA 4 int GLX 4 int C12 4 int C12g 4 int C16d9g 4 int FAT_KT2440_2013 3 int PG3 3 int X5P 3 int S7P 3 int F16P 3 int IsoCit 3 int Mal 3 int FAD 3 int FADH2 3 int PROT 3 int C06 3 int C08 3 int C12d5 3 int C14 3 int C14g 3 int C16g 3 int PGLYC 3 int ALA 3 int CYS 3 int MET 3 int THR 3 int VAL 3 int UTP 2 int Gliex 2 int Fruex 2 int F1P 2 int KDPG2 2 int PG6 2 int BPG13 2 int PG2 2 int Rbl5P 2 int Cit 2 int XR 2 int C04 2 int PHA 2 int C18d11g 2 int LPS 2 int CARD 2 int PETAM 2 int ARG 2 int ASN 2 int FMET 2 int HIS 2 int ILE 2 int LEU 2 int LYS 2 int PHE 2 int PRO 2 int TRP 2 int TYR 2 int RNAATP 2 int GTP 2 int RNA 2 int RIBO 2 int PEPGLY_KT_2011 2 int CARB 1 external Csource 1 external XT 93 metabolites, 573 is the summarized frequency edges frequency of nodes 1 2 2 33 3 22 4 7 5 5 6 1 7 5 8 3 11 3 13 3 14 1 16 1 19 1 20 2 39 2 41 2 freq_of_nodes = 10.3402 * edges^(-0.5702) Linear correlation coefficient r = -0.559723 The dependency is significant (p<0.05). 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-2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.2537 0 0 0 0 0 -1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.05684 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.1379 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.4232 0 0 0 0 0 0 0 -1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 -0.174 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 -1 0 -0.1441 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -50 0 50 50 50 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 -0.1335 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 -0.2151 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 -1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.0276 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.154 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 The following line indicates reversible (0) and irreversible reactions (1) 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 rows and columns are sorted as declared in the inputfile KERNEL matrix dimension r6 x c89 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 -1 1 0 1 1 1 -1 -1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.187489 -0.207702 0 0 -0.587669 -0.370761 0 -0.00226834 -0.00226834 -0.00226834 0.0394547 0 -0.0049357 0.147702 -0.108036 0 0.0490196 -0.0991653 0 1 -0.0389607 -0.0577528 -0.0389607 -0.0637116 -0.0637116 -0.0623745 -0.0515746 -0.00619358 -0.0129753 -0.00289704 -5.14281e-05 -0.00163635 -0.00032727 0 -0.00808964 -0.00300769 -0.00176313 -0.000103713 -0.00032727 -2.31037e-05 -5.02593e-06 -7.55837e-05 -0.0389607 -0.067929 -0.00939342 -0.0115246 -0.00861421 0.00529378 -0.0113181 -0.00956497 -0.0175518 -0.0133713 -0.00599695 -0.00685319 -0.0212024 -0.00537268 -0.00221453 -0.03404 -0.00369114 -0.00677916 -0.0108155 -0.00520125 -0.00838044 -0.0389607 -0.0389607 -0.00107532 -0.00599995 -0.176824 -0.207702 -0.355404 -0.349063 -0.686536 -0.686536 -0.618607 -0.618607 -0.0271582 0.0271582 0.00570436 0.00701344 0.0214538 0.0539013 0.0394547 -0.0026355 -0.0075712 -0.401284 -0.0910474 0.113338 -0.0232401 8.68823e-06 0.213645 0.236678 0 0 0.685449 0.455182 0 0.063995 0.063995 0.063995 0.0197024 0 0.00523967 -0.171407 0.114689 0 0.00954832 0.413207 1 0 0.0413602 0.0658097 0.0413602 0.0676354 0.0676354 0.066216 0.0547509 0.00657502 0.0137744 0.00307546 5.45954e-05 0.00173713 0.000347425 0 0.00858786 0.00319292 0.00187171 0.000110101 0.000347425 2.45266e-05 5.33546e-06 8.02387e-05 0.0413602 0.0721126 0.00997194 0.0122343 0.00914473 -0.00561981 0.0120151 0.010154 0.0186328 0.0141948 0.00636628 0.00727525 0.0225082 0.00570357 0.00235091 0.0361364 0.00391846 0.00719667 0.0114816 0.00552158 0.00889657 0.0413602 0.0413602 0.00114154 0.00636946 0.202323 0.236678 0.408085 0.401354 0.790405 0.790405 0.718292 0.718292 0.0288308 -0.0288308 -0.00605568 -0.00744538 -0.0227751 0.00436602 0.0197024 0.0643847 0.0696244 0.425998 0.0966547 -0.120319 0.0246713 -9.22332e-06 0.0261561 0.028976 0 0 1.09778 0.0844209 0 0.0617266 0.0617266 0.0617266 0.059157 0 0.000303974 -0.0237057 1.00665 1 0.058568 0.314042 0 0 0.00239947 0.00805694 0.00239947 0.0039238 0.0039238 0.00384145 0.00317632 0.000381444 0.00079911 0.00017842 3.1673e-06 0.000100778 2.01555e-05 0 0.000498216 0.000185234 0.000108586 6.38739e-06 2.01555e-05 1.42289e-06 3.09532e-07 4.65497e-06 0.00239947 0.00418354 0.000578512 0.000709763 0.000530523 -0.000326028 0.000697046 0.000589077 0.00108096 0.000823498 0.000369334 0.000422067 0.00130579 0.000330887 0.000136386 0.00209642 0.000227326 0.000417508 0.000666093 0.000320329 0.000516126 0.00239947 0.00239947 6.62254e-05 0.000369518 0.0254992 0.028976 0.0526817 0.0522912 0.103869 0.103869 0.099685 0.099685 0.00167259 -0.00167259 -0.000351314 -0.000431936 -0.00132128 0.0582673 0.059157 0.0617492 0.0620532 0.0247139 0.00560733 -0.00698017 0.00143128 -5.35082e-07 -0.187489 -0.207702 0 0 -0.587669 0.629239 0 -0.00226834 -0.00226834 -1.00227 -0.960545 1 0.995064 0.147702 -1.10804 0 0.0490196 -0.0991653 0 0 -0.0389607 -0.0577528 -0.0389607 -0.0637116 -0.0637116 -0.0623745 -0.0515746 -0.00619358 -0.0129753 -0.00289704 -5.14281e-05 -0.00163635 -0.00032727 0 -0.00808964 -0.00300769 -0.00176313 -0.000103713 -0.00032727 -2.31037e-05 -5.02593e-06 -7.55837e-05 -0.0389607 -0.067929 -0.00939342 -0.0115246 -0.00861421 0.00529378 -0.0113181 -0.00956497 -0.0175518 -0.0133713 -0.00599695 -0.00685319 -0.0212024 -0.00537268 -0.00221453 -0.03404 -0.00369114 -0.00677916 -0.0108155 -0.00520125 -0.00838044 -0.0389607 -0.0389607 -0.00107532 -0.00599995 -0.176824 -0.207702 -0.355404 -0.349063 -0.686536 -0.686536 -0.618607 -0.618607 -0.0271582 0.0271582 0.00570436 0.00701344 0.0214538 -0.946099 0.0394547 -0.0026355 0.992429 -0.401284 -0.0910474 0.113338 -0.0232401 8.68823e-06 0.239801 0.265654 1 1 -0.216771 0.539602 1 0.125722 0.125722 0.125722 0.0788594 0 0.00554365 0.804887 0.121343 0 0.0681163 0.727249 0 0 0.0437596 0.0738666 0.0437596 0.0715592 0.0715592 0.0700574 0.0579272 0.00695647 0.0145735 0.00325388 5.77627e-05 0.0018379 0.000367581 0 0.00908607 0.00337816 0.0019803 0.000116488 0.000367581 2.59495e-05 5.64499e-06 8.48937e-05 0.0437596 0.0762961 0.0105504 0.0129441 0.00967525 -0.00594584 0.0127122 0.0107431 0.0197137 0.0150183 0.00673561 0.00769732 0.023814 0.00603445 0.0024873 0.0382328 0.00414579 0.00761418 0.0121477 0.00584191 0.0094127 0.0437596 0.0437596 0.00120777 0.00673898 -0.772178 0.265654 -0.539233 -0.546355 -0.105726 -0.105726 -0.182023 -0.182023 0.0305034 -0.0305034 -0.00640699 -0.00787732 -0.0240964 0.0626333 0.0788594 0.126134 0.131678 0.450712 0.102262 -0.127299 0.0261026 -9.7584e-06 89 reactions (columns) are sorted in the same order as in the ENZREV ENZIRREV section. enzymes 1: F12 -F12d5 F12g F14 F14g F16g -F16d9g -F16g2 irreversible 2: (-0.187489 EMP1A) (-0.207702 EMP1B) (-0.587669 EMP10) (-0.370761 CPD) (-0.00226834 CK1) (-0.00226834 CK2) (-0.00226834 CK3) (0.0394547 CK4) (-0.0049357 CGLX2) (0.147702 GLN3) (-0.108036 AD1) (0.0490196 OXFAD) (-0.0991653 OXNAD) UDH (-0.0389607 BIOTOT) (-0.0577528 CINTAKE) (-0.0389607 BIO) (-0.0637116 F04) (-0.0637116 F06) (-0.0623745 F08) (-0.0515746 F10) (-0.00619358 F12) (-0.0129753 F12d5) (-0.00289704 F12g) (-5.14281e-05 FPHA) (-0.00163635 F14) (-0.00032727 F14g) (-0.00808964 F16d9g) (-0.00300769 F16g2) (-0.00176313 F18d11g) (-0.000103713 FATI) (-0.00032727 FLPS) (-2.31037e-05 FPGLYC) (-5.02593e-06 FCARD) (-7.55837e-05 FPETAM) (-0.0389607 PPROT) (-0.067929 PSER_S) (-0.00939342 PASN_S) (-0.0115246 PARG_S) (-0.00861421 PPRO_S) (0.00529378 PGLY_S) (-0.0113181 PILE_S) (-0.00956497 PCYS_S) (-0.0175518 PLEU_S) (-0.0133713 PLYS_S) (-0.00599695 PMET_S) (-0.00685319 PPHE_S) (-0.0212024 PTHR_S) (-0.00537268 PTYR_S) (-0.00221453 PTRP_S) (-0.03404 PVAL_S) (-0.00369114 PHIS_S) (-0.00677916 RATP) (-0.0108155 RUTP) (-0.00520125 RCTP) (-0.00838044 RGTP) (-0.0389607 RNA_S) (-0.0389607 RIBO_S) (-0.00107532 PEPGLY_S) (-0.00599995 CARB_S) (-0.176824 EMP2A) (-0.207702 EMP2B) (-0.355404 EMP4) (-0.349063 EMP5) (-0.686536 EMP6) (-0.686536 EMP7) (-0.618607 EMP8) (-0.618607 EMP9) (-0.0271582 VP6) (0.0271582 VP7) (0.00570436 VP8) (0.00701344 VP9) (0.0214538 VP10) (0.0539013 CK5) (0.0394547 CK6) (-0.0026355 CK7) (-0.0075712 CK8) (-0.401284 PGLU_SD) (-0.0910474 PGLN_SD) (0.113338 PASP_SD) (-0.0232401 PALA_SD) (8.68823e-06 PFMET_SD) irreversible 3: (0.213645 EMP1A) (0.236678 EMP1B) (0.685449 EMP10) (0.455182 CPD) (0.063995 CK1) (0.063995 CK2) (0.063995 CK3) (0.0197024 CK4) (0.00523967 CGLX2) (-0.171407 GLN3) (0.114689 AD1) (0.00954832 OXFAD) (0.413207 OXNAD) TRANS (0.0413602 BIOTOT) (0.0658097 CINTAKE) (0.0413602 BIO) (0.0676354 F04) (0.0676354 F06) (0.066216 F08) (0.0547509 F10) (0.00657502 F12) (0.0137744 F12d5) (0.00307546 F12g) (5.45954e-05 FPHA) (0.00173713 F14) (0.000347425 F14g) (0.00858786 F16d9g) (0.00319292 F16g2) (0.00187171 F18d11g) (0.000110101 FATI) (0.000347425 FLPS) (2.45266e-05 FPGLYC) (5.33546e-06 FCARD) (8.02387e-05 FPETAM) (0.0413602 PPROT) (0.0721126 PSER_S) (0.00997194 PASN_S) (0.0122343 PARG_S) (0.00914473 PPRO_S) (-0.00561981 PGLY_S) (0.0120151 PILE_S) (0.010154 PCYS_S) (0.0186328 PLEU_S) (0.0141948 PLYS_S) (0.00636628 PMET_S) (0.00727525 PPHE_S) (0.0225082 PTHR_S) (0.00570357 PTYR_S) (0.00235091 PTRP_S) (0.0361364 PVAL_S) (0.00391846 PHIS_S) (0.00719667 RATP) (0.0114816 RUTP) (0.00552158 RCTP) (0.00889657 RGTP) (0.0413602 RNA_S) (0.0413602 RIBO_S) (0.00114154 PEPGLY_S) (0.00636946 CARB_S) (0.202323 EMP2A) (0.236678 EMP2B) (0.408085 EMP4) (0.401354 EMP5) (0.790405 EMP6) (0.790405 EMP7) (0.718292 EMP8) (0.718292 EMP9) (0.0288308 VP6) (-0.0288308 VP7) (-0.00605568 VP8) (-0.00744538 VP9) (-0.0227751 VP10) (0.00436602 CK5) (0.0197024 CK6) (0.0643847 CK7) (0.0696244 CK8) (0.425998 PGLU_SD) (0.0966547 PGLN_SD) (-0.120319 PASP_SD) (0.0246713 PALA_SD) (-9.22332e-06 PFMET_SD) irreversible 4: (0.0261561 EMP1A) (0.028976 EMP1B) (1.09778 EMP10) (0.0844209 CPD) (0.0617266 CK1) (0.0617266 CK2) (0.0617266 CK3) (0.059157 CK4) (0.000303974 CGLX2) (-0.0237057 GLN3) (1.00665 AD1) AD2 (0.058568 OXFAD) (0.314042 OXNAD) (0.00239947 BIOTOT) (0.00805694 CINTAKE) (0.00239947 BIO) (0.0039238 F04) (0.0039238 F06) (0.00384145 F08) (0.00317632 F10) (0.000381444 F12) (0.00079911 F12d5) (0.00017842 F12g) (3.1673e-06 FPHA) (0.000100778 F14) (2.01555e-05 F14g) (0.000498216 F16d9g) (0.000185234 F16g2) (0.000108586 F18d11g) (6.38739e-06 FATI) (2.01555e-05 FLPS) (1.42289e-06 FPGLYC) (3.09532e-07 FCARD) (4.65497e-06 FPETAM) (0.00239947 PPROT) (0.00418354 PSER_S) (0.000578512 PASN_S) (0.000709763 PARG_S) (0.000530523 PPRO_S) (-0.000326028 PGLY_S) (0.000697046 PILE_S) (0.000589077 PCYS_S) (0.00108096 PLEU_S) (0.000823498 PLYS_S) (0.000369334 PMET_S) (0.000422067 PPHE_S) (0.00130579 PTHR_S) (0.000330887 PTYR_S) (0.000136386 PTRP_S) (0.00209642 PVAL_S) (0.000227326 PHIS_S) (0.000417508 RATP) (0.000666093 RUTP) (0.000320329 RCTP) (0.000516126 RGTP) (0.00239947 RNA_S) (0.00239947 RIBO_S) (6.62254e-05 PEPGLY_S) (0.000369518 CARB_S) (0.0254992 EMP2A) (0.028976 EMP2B) (0.0526817 EMP4) (0.0522912 EMP5) (0.103869 EMP6) (0.103869 EMP7) (0.099685 EMP8) (0.099685 EMP9) (0.00167259 VP6) (-0.00167259 VP7) (-0.000351314 VP8) (-0.000431936 VP9) (-0.00132128 VP10) (0.0582673 CK5) (0.059157 CK6) (0.0617492 CK7) (0.0620532 CK8) (0.0247139 PGLU_SD) (0.00560733 PGLN_SD) (-0.00698017 PASP_SD) (0.00143128 PALA_SD) (-5.35082e-07 PFMET_SD) irreversible 5: (-0.187489 EMP1A) (-0.207702 EMP1B) (-0.587669 EMP10) (0.629239 CPD) (-0.00226834 CK1) (-0.00226834 CK2) (-1.00227 CK3) (-0.960545 CK4) CGLX1 (0.995064 CGLX2) (0.147702 GLN3) (-1.10804 AD1) (0.0490196 OXFAD) (-0.0991653 OXNAD) (-0.0389607 BIOTOT) (-0.0577528 CINTAKE) (-0.0389607 BIO) (-0.0637116 F04) (-0.0637116 F06) (-0.0623745 F08) (-0.0515746 F10) (-0.00619358 F12) (-0.0129753 F12d5) (-0.00289704 F12g) (-5.14281e-05 FPHA) (-0.00163635 F14) (-0.00032727 F14g) (-0.00808964 F16d9g) (-0.00300769 F16g2) (-0.00176313 F18d11g) (-0.000103713 FATI) (-0.00032727 FLPS) (-2.31037e-05 FPGLYC) (-5.02593e-06 FCARD) (-7.55837e-05 FPETAM) (-0.0389607 PPROT) (-0.067929 PSER_S) (-0.00939342 PASN_S) (-0.0115246 PARG_S) (-0.00861421 PPRO_S) (0.00529378 PGLY_S) (-0.0113181 PILE_S) (-0.00956497 PCYS_S) (-0.0175518 PLEU_S) (-0.0133713 PLYS_S) (-0.00599695 PMET_S) (-0.00685319 PPHE_S) (-0.0212024 PTHR_S) (-0.00537268 PTYR_S) (-0.00221453 PTRP_S) (-0.03404 PVAL_S) (-0.00369114 PHIS_S) (-0.00677916 RATP) (-0.0108155 RUTP) (-0.00520125 RCTP) (-0.00838044 RGTP) (-0.0389607 RNA_S) (-0.0389607 RIBO_S) (-0.00107532 PEPGLY_S) (-0.00599995 CARB_S) (-0.176824 EMP2A) (-0.207702 EMP2B) (-0.355404 EMP4) (-0.349063 EMP5) (-0.686536 EMP6) (-0.686536 EMP7) (-0.618607 EMP8) (-0.618607 EMP9) (-0.0271582 VP6) (0.0271582 VP7) (0.00570436 VP8) (0.00701344 VP9) (0.0214538 VP10) (-0.946099 CK5) (0.0394547 CK6) (-0.0026355 CK7) (0.992429 CK8) (-0.401284 PGLU_SD) (-0.0910474 PGLN_SD) (0.113338 PASP_SD) (-0.0232401 PALA_SD) (8.68823e-06 PFMET_SD) irreversible 6: (0.239801 EMP1A) (0.265654 EMP1B) ED1 ED2 (-0.216771 EMP10) (0.539602 CPD) VP1 (0.125722 CK1) (0.125722 CK2) (0.125722 CK3) (0.0788594 CK4) (0.00554365 CGLX2) (0.804887 GLN3) (0.121343 AD1) (0.0681163 OXFAD) (0.727249 OXNAD) (0.0437596 BIOTOT) (0.0738666 CINTAKE) (0.0437596 BIO) (0.0715592 F04) (0.0715592 F06) (0.0700574 F08) (0.0579272 F10) (0.00695647 F12) (0.0145735 F12d5) (0.00325388 F12g) (5.77627e-05 FPHA) (0.0018379 F14) (0.000367581 F14g) (0.00908607 F16d9g) (0.00337816 F16g2) (0.0019803 F18d11g) (0.000116488 FATI) (0.000367581 FLPS) (2.59495e-05 FPGLYC) (5.64499e-06 FCARD) (8.48937e-05 FPETAM) (0.0437596 PPROT) (0.0762961 PSER_S) (0.0105504 PASN_S) (0.0129441 PARG_S) (0.00967525 PPRO_S) (-0.00594584 PGLY_S) (0.0127122 PILE_S) (0.0107431 PCYS_S) (0.0197137 PLEU_S) (0.0150183 PLYS_S) (0.00673561 PMET_S) (0.00769732 PPHE_S) (0.023814 PTHR_S) (0.00603445 PTYR_S) (0.0024873 PTRP_S) (0.0382328 PVAL_S) (0.00414579 PHIS_S) (0.00761418 RATP) (0.0121477 RUTP) (0.00584191 RCTP) (0.0094127 RGTP) (0.0437596 RNA_S) (0.0437596 RIBO_S) (0.00120777 PEPGLY_S) (0.00673898 CARB_S) (-0.772178 EMP2A) (0.265654 EMP2B) (-0.539233 EMP4) (-0.546355 EMP5) (-0.105726 EMP6) (-0.105726 EMP7) (-0.182023 EMP8) (-0.182023 EMP9) (0.0305034 VP6) (-0.0305034 VP7) (-0.00640699 VP8) (-0.00787732 VP9) (-0.0240964 VP10) (0.0626333 CK5) (0.0788594 CK6) (0.126134 CK7) (0.131678 CK8) (0.450712 PGLU_SD) (0.102262 PGLN_SD) (-0.127299 PASP_SD) (0.0261026 PALA_SD) (-9.7584e-06 PFMET_SD) irreversible overall reaction 1: no net transfomation of external metabolites 2: XT + 7.61484 CO2 = 1.48233 Csource + 10.2728 NH3 + 1.24127 O2 3: 1.59114 Csource + 10.2728 NH3 + 5.70839 O2 = XT + 12.082 CO2 4: 3.3578 Csource + 10.2728 NH3 + 78.242 O2 = XT + 84.6155 CO2 5: XT + 7.61484 CO2 = 1.48233 Csource + 10.2728 NH3 + 1.24127 O2 6: 1.68801 Csource + 10.2728 NH3 + 9.68562 O2 = XT + 16.0592 CO2 SUBSETS OF REACTIONS matrix dimension r34 x c89 1 1.10781 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.308034 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1.10781 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -1 0 -1 -1.63528 -1.63528 -1.60096 -1.32376 0 0 0 -0.00132 0 0 0 0 0 -0.045254 -0.002662 -0.0084 -0.000593 -0.000129 -0.00194 -1 -1.74353 -0.2411 -0.2958 -0.2211 0.135875 -0.2905 -0.245503 -0.4505 -0.3432 -0.153923 -0.1759 -0.5442 -0.1379 -0.05684 -0.8737 -0.09474 -0.174 -0.2776 -0.1335 -0.2151 -1 -1 -0.0276 -0.154 0 0 0 0 0 0 0 0 -0.697067 0.697067 0.146413 0.180013 0.550653 0 0 0 0 -10.2997 -2.3369 2.90905 -0.5965 0.000223 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 89 reactions (columns) are sorted in the same order as in the ENZREV ENZIRREV section. enzymes 1: EMP1A (1.10781 EMP1B) (0.308034 CINTAKE) (1.10781 EMP2B) irreversible 2: ED1 ED2 VP1 irreversible 3: EMP10 irreversible 4: CPD irreversible 5: CK1 CK2 irreversible 6: CK3 irreversible 7: CK4 irreversible 8: CGLX1 irreversible 9: CGLX2 irreversible 10: GLN3 irreversible 11: AD1 irreversible 12: AD2 irreversible 13: OXFAD irreversible 14: OXNAD irreversible 15: TRANS irreversible 16: UDH irreversible 17: -BIOTOT -BIO (-1.63528 F04) (-1.63528 F06) (-1.60096 F08) (-1.32376 F10) (-0.00132 FPHA) (-0.045254 F18d11g) (-0.002662 FATI) (-0.0084 FLPS) (-0.000593 FPGLYC) (-0.000129 FCARD) (-0.00194 FPETAM) -PPROT (-1.74353 PSER_S) (-0.2411 PASN_S) (-0.2958 PARG_S) (-0.2211 PPRO_S) (0.135875 PGLY_S) (-0.2905 PILE_S) (-0.245503 PCYS_S) (-0.4505 PLEU_S) (-0.3432 PLYS_S) (-0.153923 PMET_S) (-0.1759 PPHE_S) (-0.5442 PTHR_S) (-0.1379 PTYR_S) (-0.05684 PTRP_S) (-0.8737 PVAL_S) (-0.09474 PHIS_S) (-0.174 RATP) (-0.2776 RUTP) (-0.1335 RCTP) (-0.2151 RGTP) -RNA_S -RIBO_S (-0.0276 PEPGLY_S) (-0.154 CARB_S) (-0.697067 VP6) (0.697067 VP7) (0.146413 VP8) (0.180013 VP9) (0.550653 VP10) (-10.2997 PGLU_SD) (-2.3369 PGLN_SD) (2.90905 PASP_SD) (-0.5965 PALA_SD) (0.000223 PFMET_SD) irreversible 18: F12 irreversible 19: F12d5 irreversible 20: F12g irreversible 21: F14 irreversible 22: F14g irreversible 23: F16g irreversible 24: F16d9g irreversible 25: F16g2 irreversible 26: EMP2A reversible 27: EMP4 reversible 28: EMP5 reversible 29: EMP6 EMP7 reversible 30: EMP8 EMP9 reversible 31: CK5 reversible 32: CK6 reversible 33: CK7 reversible 34: CK8 reversible overall reaction 1: 10.4392 ATP + Csource = 10.4392 ADP + 3.2464 G6P + 3.5964 F16P 2: G6P + NADP = NADPH + PIR + G3P 3: ADP + PEP = ATP + PIR 4: PIR + NAD + CoASH = AcCoA + NADH + CO2 5: AcCoA + OAA = IsoCit + CoASH 6: NADP + IsoCit = NADPH + KG2 + CO2 7: KG2 + NAD + CoASH = SucCoA + NADH + CO2 8: IsoCit = Suc + GLX 9: AcCoA + GLX = Mal + CoASH 10: F16P = F6P 11: ATP + PIR + CO2 = ADP + OAA 12: ATP + OAA = ADP + PEP + CO2 13: 3 ADP + 2 FADH2 + O2 = 3 ATP + 2 FAD 14: 5 ADP + 2 NADH + O2 = 5 ATP + 2 NAD 15: ATP + NADP + NADH = ADP + NADPH + NAD 16: NADPH + NAD = NADP + NADH 17: 1976.28 ADP + 2837.38 NADP + 44.1429 Suc + 128.61 Fum + 29.2265 FAD + 225.355 NADH + 1042.01 CoASH + 15.0814 GLX + 58.5721 C10 + 119.048 XT + 217.377 CO2 = 1976.28 ATP + 32.5879 G6P + 2837.38 NADPH + 332.671 PIR + 54.7873 G3P + 207.563 PG3 + 94.5333 PEP + 997.868 AcCoA + 88.9841 F6P + 19.375 DHP + 346.315 OAA + 127.488 KG2 + 44.1429 SucCoA + 29.2265 FADH2 + 225.355 NAD + 10.0729 C12 + 14.9286 C12d5 + 3.85214 C12g + 4 C14 + C14g + 9.19024 C16g + 15.5283 C16d9g + 1222.95 NH3 + 71.1583 O2 18: ATP + 2 NADPH + AcCoA + C10 = ADP + 2 NADP + CoASH + C12 19: ATP + NADPH + AcCoA + C10 = ADP + NADP + CoASH + C12d5 20: NADPH + C12 = NADP + C12g 21: ATP + NADPH + AcCoA + C12g = ADP + NADP + CoASH + C14 22: NADPH + C14 = NADP + C14g 23: ATP + 2 NADPH + AcCoA + C14g = ADP + 2 NADP + CoASH + C16g 24: 2 ATP + 5 NADPH + 2 AcCoA + C12d5 = 2 ADP + 5 NADP + 2 CoASH + C16d9g 25: NADPH + C16d9g = NADP + C16g 26: G6P = F6P 27: F16P = G3P + DHP 28: DHP = G3P 29: ADP + G3P + NAD = ATP + PG3 + NADH 30: PG3 = PEP 31: ADP + SucCoA = ATP + Suc + CoASH 32: Suc + FAD = Fum + FADH2 33: Fum = Mal 34: Mal + NAD = OAA + NADH !!! Subset 17 with contradictory irreversibility constraints, please check your model. Enzymes of that subset are cancelled for further calculations. REDUCED SYSTEM with 34 branch point metabolites in 33 reactions (columns) matrix dimension r34 x c33 3.21562346 0 -1 0 0 0 0 0 0 0 1 1 -1.5 -2.5 1 0 1 1 0 1 0 1 2 0 0 0 0 -1 0 -1 0 0 0 -3.21562346 0 1 0 0 0 0 0 0 0 -1 -1 1.5 2.5 -1 0 -1 -1 0 -1 0 -1 -2 0 0 0 0 1 0 1 0 0 0 1 -1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -1 0 0 0 0 0 0 0 0 0 -1 0 0 0 -1 0 0 0 0 0 0 0 0 -1 1 2 1 1 1 1 2 5 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 1 -1 -2 -1 -1 -1 -1 -2 -5 -1 0 0 0 0 0 0 0 0 0 0 1 1 -1 0 0 0 0 0 0 -1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 -1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 -1 0 0 0 0 0 0 -1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 -1 0 0 0 -1 0 0 0 0 0 0 0 -1 -1 0 -1 0 -1 -2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 -1 0 0 0 0 0 0 1.10781173 0 0 0 0 0 0 0 0 -1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -1 0 0 0 0 0 0 0 0 0 0 0 -1 0 0 0 0 0 1 -1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 1 -1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 -1 0 -1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 -1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 -1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 -1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 -1 0 0 -1 0 0 0 0 0 0 1 1 -1 0 0 0 0 0 0 0 0 0 0 0 -1 0 0 0 0 -1 0 0 0 1 0 0 1 0 0 0 0 0 0 -1 -1 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 -1 1 0 -1 0 1 0 0 0 0 0 0 0 1 1 0 1 0 1 2 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 -1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -1 -1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 -1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 -1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 -1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 -1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 -1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 -1 0 0 0 0 0 0 0 0 0 The following line indicates reversible (0) and irreversible reactions (1) 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 -> Branch metabolites are : met cons built reactions ADP 5 36 41 iiiiiiiiiiiiiiiiiiiiiiiiiiiiiiiiiiiiiirrr ATP 36 5 41 iiiiiiiiiiiiiiiiiiiiiiiiiiiiiiiiiiiiiirrr G6P 5 2 7 iiiiiir NADP 9 30 39 iiiiiiiiiiiiiiiiiiiiiiiiiiiiiiiiiiirrrr NADPH 30 9 39 iiiiiiiiiiiiiiiiiiiiiiiiiiiiiiiiiiirrrr PIR 7 4 11 iiiiiiiiiir G3P 2 6 8 iirrrrrr PG3 2 1 3 irr PEP 6 2 8 iiiiiiir AcCoA 15 1 16 iiiiiiiiiiiiiiii F6P 1 4 5 iirrr DHP 3 1 4 iirr F16P 2 1 3 irr OAA 2 3 5 iiirr KG2 3 11 14 iiiiiiiiiiirrr IsoCit 2 1 3 iii SucCoA 3 1 4 iiir Suc 1 4 5 iiirr Fum 1 6 7 iiiiirr Mal 1 2 3 irr FAD 1 2 3 iir FADH2 2 1 3 iir NAD 9 4 13 iiiiiiiiiiirr NADH 4 9 13 iiiiiiiiiiirr CoASH 2 17 19 iiiiiiiiiiiiiiiiiir GLX 1 3 4 iiii C10 4 1 5 iiiii C12 3 1 4 iiii C12d5 2 1 3 iii C12g 3 1 4 iiii C14 2 1 3 iii C14g 2 1 3 iii C16g 1 2 3 iii C16d9g 3 1 4 iiii -> No branch metabolites are : met cons built reactions Gliex 1 1 2 ii Fruex 1 1 2 ii F1P 1 1 2 ir KDPG2 1 1 2 ii PG6 1 1 2 ii BPG13 1 1 2 rr PG2 1 1 2 rr Rbl5P 2 0 2 rr Rb5P 7 1 8 iiiiiirr X5P 2 1 3 rrr S7P 2 1 3 irr E4P 4 1 5 iiirr Cit 1 1 2 ii XR 1 1 2 ii PROT 2 1 3 iii C04 1 1 2 ii C06 2 1 3 iii C08 2 1 3 iii PHA 1 1 2 ii C18d11g 1 1 2 ii FAT_KT2440_2013 3 1 4 iiii LPS 1 1 2 ii CARD 1 1 2 ii PGLYC 2 1 3 iii PETAM 1 1 2 ii ALA 2 1 3 iir ARG 1 1 2 ii ASN 1 1 2 ii ASP 13 0 13 iiiiiiiiiiiir CYS 2 1 3 iii FMET 2 0 2 ir GLN 10 1 11 iiiiiiiiiir GLU 10 10 20 iiiiiiiiiiiiiiiiirrr GLY 1 6 7 iiiiiii HIS 1 1 2 ii ILE 1 1 2 ii LEU 1 1 2 ii LYS 1 1 2 ii MET 1 2 3 iir PHE 1 1 2 ii PRO 1 1 2 ii SER 10 1 11 iiiiiiiiiii THR 2 1 3 iii TRP 1 1 2 ii TYR 1 1 2 ii VAL 2 1 3 iii RNAATP 1 1 2 ii UTP 2 1 3 iii CTP 2 4 6 iiiiii GTP 1 1 2 ii RNA 1 1 2 ii RIBO 1 1 2 ii PEPGLY_KT_2011 1 1 2 ii CARB 1 1 2 ii CONVEX BASIS matrix dimension r8 x c89 0.041285 0.045736 1 1 0 0.348084 1 0.174042 0.174042 0 0 0.174042 0.174042 0.958715 0.651916 0.825958 0.174042 0.87021 0 1 0 0.0127172 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.958715 0.045736 -0.912979 -0.912979 -0.825958 -0.825958 -0.825958 -0.825958 0 0 0 0 0 0 0.174042 0.174042 0.348084 0 0 0 0 0 0.0211096 0.0233854 0.17798 0.17798 0 0.17798 0.17798 0.08899 0.08899 0 0 0.08899 0.08899 0.15687 0 0.08899 0.08899 0.44495 1 1.17798 0 0.00650246 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.15687 0.0233854 -0.133485 -0.133485 -0.08899 -0.08899 -0.08899 -0.08899 0 0 0 0 0 0 0.08899 0.08899 0.17798 0 0 0 0 0 0.0160683 0.0178006 0.0160683 0.0160683 0.119407 0.135476 0.0160683 0.0677379 0.0677379 0 0 0.0677379 0.0677379 0 0 0.0677379 0.0677379 0.338689 1 1.01607 0 0.00494957 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.0178006 0.0178006 0.0178006 0.0516696 0.0516696 0.0516696 0.0516696 0 0 0 0 0 0 0.0677379 0.0677379 0.135476 0 0 0 0 0 0.0150489 0.0166714 0.0150489 0.0150489 1.04839 0.0634406 0.0150489 0.0634406 0.0634406 0.0634406 0.0634406 0 0 0 1 1 0.0634406 0.317203 0 0.0784895 0 0.00463557 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.0166714 0.0166714 0.0166714 0.0483916 0.0483916 0.0483916 0.0483916 0 0 0 0 0 0.0634406 0.0634406 0.0634406 0.0634406 0 0 0 0 0 0.0160683 0.0178006 0.0160683 0.0160683 1.11941 0.135476 0.0160683 0.0677379 0.0677379 0 0 0.0677379 0.0677379 0 1 1.06774 0.0677379 0.338689 0 0.0160683 0 0.00494957 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.0178006 0.0178006 0.0178006 0.0516696 0.0516696 0.0516696 0.0516696 0 0 0 0 0 0 0.0677379 0.0677379 0.135476 0 0 0 0 0 0.0150489 0.0166714 0.0150489 0.0150489 0.0483916 0.0634406 0.0150489 0.0634406 0.0634406 0.0634406 0.0634406 0 0 0 0 0 0.0634406 0.317203 1 1.07849 0 0.00463557 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.0166714 0.0166714 0.0166714 0.0483916 0.0483916 0.0483916 0.0483916 0 0 0 0 0 0.0634406 0.0634406 0.0634406 0.0634406 0 0 0 0 0 0.0166615 0.0184578 0.0702385 0.0702385 0 0.0702385 0.0702385 0.0702385 0.0702385 0.0702385 0.0702385 0 0 0.053577 0 0 0.0702385 0.351192 1 1.14048 0 0.00513229 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.053577 0.0184578 -0.0351192 -0.0351192 0 0 0 0 0 0 0 0 0 0.0702385 0.0702385 0.0702385 0.0702385 0 0 0 0 0 0.0351648 0.038956 0.851758 0.851758 0 0.148242 0.851758 0.148242 0.148242 0.148242 0.148242 0 0 0.816593 0.703516 0.703516 0.148242 0.741209 0 1 0 0.010832 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.816593 0.038956 -0.777637 -0.777637 -0.703516 -0.703516 -0.703516 -0.703516 0 0 0 0 0 0.148242 0.148242 0.148242 0.148242 0 0 0 0 0 enzymes 1: (0.041285 EMP1A) (0.045736 EMP1B) ED1 ED2 (0.348084 CPD) VP1 (0.174042 CK1) (0.174042 CK2) (0.174042 CGLX1) (0.174042 CGLX2) (0.958715 GLN3) (0.651916 AD1) (0.825958 AD2) (0.174042 OXFAD) (0.87021 OXNAD) UDH (0.0127172 CINTAKE) (-0.958715 EMP2A) (0.045736 EMP2B) (-0.912979 EMP4) (-0.912979 EMP5) (-0.825958 EMP6) (-0.825958 EMP7) (-0.825958 EMP8) (-0.825958 EMP9) (0.174042 CK6) (0.174042 CK7) (0.348084 CK8) irreversible 2: (0.0211096 EMP1A) (0.0233854 EMP1B) (0.17798 ED1) (0.17798 ED2) (0.17798 CPD) (0.17798 VP1) (0.08899 CK1) (0.08899 CK2) (0.08899 CGLX1) (0.08899 CGLX2) (0.15687 GLN3) (0.08899 AD2) (0.08899 OXFAD) (0.44495 OXNAD) TRANS (1.17798 UDH) (0.00650246 CINTAKE) (-0.15687 EMP2A) (0.0233854 EMP2B) (-0.133485 EMP4) (-0.133485 EMP5) (-0.08899 EMP6) (-0.08899 EMP7) (-0.08899 EMP8) (-0.08899 EMP9) (0.08899 CK6) (0.08899 CK7) (0.17798 CK8) irreversible 3: (0.0160683 EMP1A) (0.0178006 EMP1B) (0.0160683 ED1) (0.0160683 ED2) (0.119407 EMP10) (0.135476 CPD) (0.0160683 VP1) (0.0677379 CK1) (0.0677379 CK2) (0.0677379 CGLX1) (0.0677379 CGLX2) (0.0677379 AD2) (0.0677379 OXFAD) (0.338689 OXNAD) TRANS (1.01607 UDH) (0.00494957 CINTAKE) (0.0178006 EMP2B) (0.0178006 EMP4) (0.0178006 EMP5) (0.0516696 EMP6) (0.0516696 EMP7) (0.0516696 EMP8) (0.0516696 EMP9) (0.0677379 CK6) (0.0677379 CK7) (0.135476 CK8) irreversible 4: (0.0150489 EMP1A) (0.0166714 EMP1B) (0.0150489 ED1) (0.0150489 ED2) (1.04839 EMP10) (0.0634406 CPD) (0.0150489 VP1) (0.0634406 CK1) (0.0634406 CK2) (0.0634406 CK3) (0.0634406 CK4) AD1 AD2 (0.0634406 OXFAD) (0.317203 OXNAD) (0.0784895 UDH) (0.00463557 CINTAKE) (0.0166714 EMP2B) (0.0166714 EMP4) (0.0166714 EMP5) (0.0483916 EMP6) (0.0483916 EMP7) (0.0483916 EMP8) (0.0483916 EMP9) (0.0634406 CK5) (0.0634406 CK6) (0.0634406 CK7) (0.0634406 CK8) irreversible 5: (0.0160683 EMP1A) (0.0178006 EMP1B) (0.0160683 ED1) (0.0160683 ED2) (1.11941 EMP10) (0.135476 CPD) (0.0160683 VP1) (0.0677379 CK1) (0.0677379 CK2) (0.0677379 CGLX1) (0.0677379 CGLX2) AD1 (1.06774 AD2) (0.0677379 OXFAD) (0.338689 OXNAD) (0.0160683 UDH) (0.00494957 CINTAKE) (0.0178006 EMP2B) (0.0178006 EMP4) (0.0178006 EMP5) (0.0516696 EMP6) (0.0516696 EMP7) (0.0516696 EMP8) (0.0516696 EMP9) (0.0677379 CK6) (0.0677379 CK7) (0.135476 CK8) irreversible 6: (0.0150489 EMP1A) (0.0166714 EMP1B) (0.0150489 ED1) (0.0150489 ED2) (0.0483916 EMP10) (0.0634406 CPD) (0.0150489 VP1) (0.0634406 CK1) (0.0634406 CK2) (0.0634406 CK3) (0.0634406 CK4) (0.0634406 OXFAD) (0.317203 OXNAD) TRANS (1.07849 UDH) (0.00463557 CINTAKE) (0.0166714 EMP2B) (0.0166714 EMP4) (0.0166714 EMP5) (0.0483916 EMP6) (0.0483916 EMP7) (0.0483916 EMP8) (0.0483916 EMP9) (0.0634406 CK5) (0.0634406 CK6) (0.0634406 CK7) (0.0634406 CK8) irreversible 7: (0.0166615 EMP1A) (0.0184578 EMP1B) (0.0702385 ED1) (0.0702385 ED2) (0.0702385 CPD) (0.0702385 VP1) (0.0702385 CK1) (0.0702385 CK2) (0.0702385 CK3) (0.0702385 CK4) (0.053577 GLN3) (0.0702385 OXFAD) (0.351192 OXNAD) TRANS (1.14048 UDH) (0.00513229 CINTAKE) (-0.053577 EMP2A) (0.0184578 EMP2B) (-0.0351192 EMP4) (-0.0351192 EMP5) (0.0702385 CK5) (0.0702385 CK6) (0.0702385 CK7) (0.0702385 CK8) irreversible 8: (0.0351648 EMP1A) (0.038956 EMP1B) (0.851758 ED1) (0.851758 ED2) (0.148242 CPD) (0.851758 VP1) (0.148242 CK1) (0.148242 CK2) (0.148242 CK3) (0.148242 CK4) (0.816593 GLN3) (0.703516 AD1) (0.703516 AD2) (0.148242 OXFAD) (0.741209 OXNAD) UDH (0.010832 CINTAKE) (-0.816593 EMP2A) (0.038956 EMP2B) (-0.777637 EMP4) (-0.777637 EMP5) (-0.703516 EMP6) (-0.703516 EMP7) (-0.703516 EMP8) (-0.703516 EMP9) (0.148242 CK5) (0.148242 CK6) (0.148242 CK7) (0.148242 CK8) irreversible overall reaction 1: Csource + 41.0568 O2 = 41.0568 CO2 2: Csource + 41.0568 O2 = 41.0568 CO2 3: Csource + 41.0568 O2 = 41.0568 CO2 4: Csource + 41.0568 O2 = 41.0568 CO2 5: Csource + 41.0568 O2 = 41.0568 CO2 6: Csource + 41.0568 O2 = 41.0568 CO2 7: Csource + 41.0568 O2 = 41.0568 CO2 8: Csource + 41.0568 O2 = 41.0568 CO2 CONSERVATION RELATIONS matrix dimension r5 x c88 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 : AcCoA + CoASH = const 2 : NAD + NADH = const 3 : FAD + FADH2 = const 4 : ADP + ATP = const 5 : NADP + NADPH = const NON-NEGATIVE CONSERVATION RELATIONS matrix dimension r5 x c88 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 : FAD + FADH2 = const 2 : AcCoA + SucCoA + CoASH = const 3 : NAD + NADH = const 4 : ADP + ATP = const 5 : NADP + NADPH = const ELEMENTARY MODES matrix dimension r15 x c89 0.0211096 0.0233854 0.17798 0.17798 0 0.17798 0.17798 0.08899 0.08899 0 0 0.08899 0.08899 0.15687 0 0.08899 0.08899 0.44495 1 1.17798 0 0.00650246 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.15687 0.0233854 -0.133485 -0.133485 -0.08899 -0.08899 -0.08899 -0.08899 0 0 0 0 0 0 0.08899 0.08899 0.17798 0 0 0 0 0 0.041285 0.045736 1 1 0 0.348084 1 0.174042 0.174042 0 0 0.174042 0.174042 0.958715 0.651916 0.825958 0.174042 0.87021 0 1 0 0.0127172 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.958715 0.045736 -0.912979 -0.912979 -0.825958 -0.825958 -0.825958 -0.825958 0 0 0 0 0 0 0.174042 0.174042 0.348084 0 0 0 0 0 0.0166615 0.0184578 0.0702385 0.0702385 0 0.0702385 0.0702385 0.0702385 0.0702385 0.0702385 0.0702385 0 0 0.053577 0 0 0.0702385 0.351192 1 1.14048 0 0.00513229 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.053577 0.0184578 -0.0351192 -0.0351192 0 0 0 0 0 0 0 0 0 0.0702385 0.0702385 0.0702385 0.0702385 0 0 0 0 0 0.0351648 0.038956 0.851758 0.851758 0 0.148242 0.851758 0.148242 0.148242 0.148242 0.148242 0 0 0.816593 0.703516 0.703516 0.148242 0.741209 0 1 0 0.010832 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.816593 0.038956 -0.777637 -0.777637 -0.703516 -0.703516 -0.703516 -0.703516 0 0 0 0 0 0.148242 0.148242 0.148242 0.148242 0 0 0 0 0 0.0160683 0.0178006 0.0160683 0.0160683 0.119407 0.135476 0.0160683 0.0677379 0.0677379 0 0 0.0677379 0.0677379 0 0 0.0677379 0.0677379 0.338689 1 1.01607 0 0.00494957 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.0178006 0.0178006 0.0178006 0.0516696 0.0516696 0.0516696 0.0516696 0 0 0 0 0 0 0.0677379 0.0677379 0.135476 0 0 0 0 0 0.0160683 0.0178006 0.0160683 0.0160683 1.11941 0.135476 0.0160683 0.0677379 0.0677379 0 0 0.0677379 0.0677379 0 1 1.06774 0.0677379 0.338689 0 0.0160683 0 0.00494957 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.0178006 0.0178006 0.0178006 0.0516696 0.0516696 0.0516696 0.0516696 0 0 0 0 0 0 0.0677379 0.0677379 0.135476 0 0 0 0 0 1.06082 1.17519 2.23601 2.23601 6.70804 8.94406 2.23601 4.47203 4.47203 0 0 4.47203 4.47203 1.17519 0 4.47203 4.47203 22.3601 63.6692 65.9052 0 0.326769 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -1.17519 1.17519 0 0 2.23601 2.23601 2.23601 2.23601 0 0 0 0 0 0 4.47203 4.47203 8.94406 0 0 0 0 0 0.548195 0.607296 2.31098 2.31098 2.31098 4.62196 2.31098 2.31098 2.31098 0 0 2.31098 2.31098 1.76279 0 2.31098 2.31098 11.5549 30.591 32.9019 0 0.168862 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -1.76279 0.607296 -1.15549 -1.15549 0 0 0 0 0 0 0 0 0 0 2.31098 2.31098 4.62196 0 0 0 0 0 0.947901 1.0501 1.998 1.998 62.8858 7.99198 1.998 3.99599 3.99599 0 0 3.99599 3.99599 1.0501 56.8918 60.8878 3.99599 19.98 0 1.998 0 0.291985 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -1.0501 1.0501 0 0 1.998 1.998 1.998 1.998 0 0 0 0 0 0 3.99599 3.99599 7.99198 0 0 0 0 0 0.360966 0.399882 1.5217 1.5217 21.6647 3.04339 1.5217 1.5217 1.5217 0 0 1.5217 1.5217 1.16073 20.143 21.6647 1.5217 7.60849 0 1.5217 0 0.11119 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -1.16073 0.399882 -0.760849 -0.760849 0 0 0 0 0 0 0 0 0 0 1.5217 1.5217 3.04339 0 0 0 0 0 0.0150489 0.0166714 0.0150489 0.0150489 0.0483916 0.0634406 0.0150489 0.0634406 0.0634406 0.0634406 0.0634406 0 0 0 0 0 0.0634406 0.317203 1 1.07849 0 0.00463557 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.0166714 0.0166714 0.0166714 0.0483916 0.0483916 0.0483916 0.0483916 0 0 0 0 0 0.0634406 0.0634406 0.0634406 0.0634406 0 0 0 0 0 0.0150489 0.0166714 0.0150489 0.0150489 1.04839 0.0634406 0.0150489 0.0634406 0.0634406 0.0634406 0.0634406 0 0 0 1 1 0.0634406 0.317203 0 0.0784895 0 0.00463557 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.0166714 0.0166714 0.0166714 0.0483916 0.0483916 0.0483916 0.0483916 0 0 0 0 0 0.0634406 0.0634406 0.0634406 0.0634406 0 0 0 0 0 1.37711 1.52557 2.90268 2.90268 2.90268 5.80536 2.90268 5.80536 5.80536 5.80536 5.80536 0 0 1.52557 0 0 5.80536 29.0268 88.4575 97.1656 0 0.424195 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -1.52557 1.52557 0 0 2.90268 2.90268 2.90268 2.90268 0 0 0 0 0 5.80536 5.80536 5.80536 5.80536 0 0 0 0 0 0.947901 1.0501 1.998 1.998 62.8858 3.99599 1.998 3.99599 3.99599 3.99599 3.99599 0 0 1.0501 60.8878 60.8878 3.99599 19.98 0 5.99399 0 0.291985 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -1.0501 1.0501 0 0 1.998 1.998 1.998 1.998 0 0 0 0 0 3.99599 3.99599 3.99599 3.99599 0 0 0 0 0 0.360966 0.399882 1.5217 1.5217 21.6647 1.5217 1.5217 1.5217 1.5217 1.5217 1.5217 0 0 1.16073 21.6647 21.6647 1.5217 7.60849 0 3.04339 0 0.11119 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -1.16073 0.399882 -0.760849 -0.760849 0 0 0 0 0 0 0 0 0 1.5217 1.5217 1.5217 1.5217 0 0 0 0 0 89 reactions (columns) are sorted in the same order as in the ENZREV ENZIRREV section. enzymes # in () indicates # of enzymes used by the elementary mode 1: (28) (0.0211096 EMP1A) (0.0233854 EMP1B) (0.17798 ED1) (0.17798 ED2) (0.17798 CPD) (0.17798 VP1) (0.08899 CK1) (0.08899 CK2) (0.08899 CGLX1) (0.08899 CGLX2) (0.15687 GLN3) (0.08899 AD2) (0.08899 OXFAD) (0.44495 OXNAD) TRANS (1.17798 UDH) (0.00650246 CINTAKE) (-0.15687 EMP2A) (0.0233854 EMP2B) (-0.133485 EMP4) (-0.133485 EMP5) (-0.08899 EMP6) (-0.08899 EMP7) (-0.08899 EMP8) (-0.08899 EMP9) (0.08899 CK6) (0.08899 CK7) (0.17798 CK8) irreversible 2: (28) (0.041285 EMP1A) (0.045736 EMP1B) ED1 ED2 (0.348084 CPD) VP1 (0.174042 CK1) (0.174042 CK2) (0.174042 CGLX1) (0.174042 CGLX2) (0.958715 GLN3) (0.651916 AD1) (0.825958 AD2) (0.174042 OXFAD) (0.87021 OXNAD) UDH (0.0127172 CINTAKE) (-0.958715 EMP2A) (0.045736 EMP2B) (-0.912979 EMP4) (-0.912979 EMP5) (-0.825958 EMP6) (-0.825958 EMP7) (-0.825958 EMP8) (-0.825958 EMP9) (0.174042 CK6) (0.174042 CK7) (0.348084 CK8) irreversible 3: (24) (0.0166615 EMP1A) (0.0184578 EMP1B) (0.0702385 ED1) (0.0702385 ED2) (0.0702385 CPD) (0.0702385 VP1) (0.0702385 CK1) (0.0702385 CK2) (0.0702385 CK3) (0.0702385 CK4) (0.053577 GLN3) (0.0702385 OXFAD) (0.351192 OXNAD) TRANS (1.14048 UDH) (0.00513229 CINTAKE) (-0.053577 EMP2A) (0.0184578 EMP2B) (-0.0351192 EMP4) (-0.0351192 EMP5) (0.0702385 CK5) (0.0702385 CK6) (0.0702385 CK7) (0.0702385 CK8) irreversible 4: (29) (0.0351648 EMP1A) (0.038956 EMP1B) (0.851758 ED1) (0.851758 ED2) (0.148242 CPD) (0.851758 VP1) (0.148242 CK1) (0.148242 CK2) (0.148242 CK3) (0.148242 CK4) (0.816593 GLN3) (0.703516 AD1) (0.703516 AD2) (0.148242 OXFAD) (0.741209 OXNAD) UDH (0.010832 CINTAKE) (-0.816593 EMP2A) (0.038956 EMP2B) (-0.777637 EMP4) (-0.777637 EMP5) (-0.703516 EMP6) (-0.703516 EMP7) (-0.703516 EMP8) (-0.703516 EMP9) (0.148242 CK5) (0.148242 CK6) (0.148242 CK7) (0.148242 CK8) irreversible 5: (27) (0.0160683 EMP1A) (0.0178006 EMP1B) (0.0160683 ED1) (0.0160683 ED2) (0.119407 EMP10) (0.135476 CPD) (0.0160683 VP1) (0.0677379 CK1) (0.0677379 CK2) (0.0677379 CGLX1) (0.0677379 CGLX2) (0.0677379 AD2) (0.0677379 OXFAD) (0.338689 OXNAD) TRANS (1.01607 UDH) (0.00494957 CINTAKE) (0.0178006 EMP2B) (0.0178006 EMP4) (0.0178006 EMP5) (0.0516696 EMP6) (0.0516696 EMP7) (0.0516696 EMP8) (0.0516696 EMP9) (0.0677379 CK6) (0.0677379 CK7) (0.135476 CK8) irreversible 6: (27) (0.0160683 EMP1A) (0.0178006 EMP1B) (0.0160683 ED1) (0.0160683 ED2) (1.11941 EMP10) (0.135476 CPD) (0.0160683 VP1) (0.0677379 CK1) (0.0677379 CK2) (0.0677379 CGLX1) (0.0677379 CGLX2) AD1 (1.06774 AD2) (0.0677379 OXFAD) (0.338689 OXNAD) (0.0160683 UDH) (0.00494957 CINTAKE) (0.0178006 EMP2B) (0.0178006 EMP4) (0.0178006 EMP5) (0.0516696 EMP6) (0.0516696 EMP7) (0.0516696 EMP8) (0.0516696 EMP9) (0.0677379 CK6) (0.0677379 CK7) (0.135476 CK8) irreversible 7: (27) (1.06082 EMP1A) (1.17519 EMP1B) (2.23601 ED1) (2.23601 ED2) (6.70804 EMP10) (8.94406 CPD) (2.23601 VP1) (4.47203 CK1) (4.47203 CK2) (4.47203 CGLX1) (4.47203 CGLX2) (1.17519 GLN3) (4.47203 AD2) (4.47203 OXFAD) (22.3601 OXNAD) (63.6692 TRANS) (65.9052 UDH) (0.326769 CINTAKE) (-1.17519 EMP2A) (1.17519 EMP2B) (2.23601 EMP6) (2.23601 EMP7) (2.23601 EMP8) (2.23601 EMP9) (4.47203 CK6) (4.47203 CK7) (8.94406 CK8) irreversible 8: (25) (0.548195 EMP1A) (0.607296 EMP1B) (2.31098 ED1) (2.31098 ED2) (2.31098 EMP10) (4.62196 CPD) (2.31098 VP1) (2.31098 CK1) (2.31098 CK2) (2.31098 CGLX1) (2.31098 CGLX2) (1.76279 GLN3) (2.31098 AD2) (2.31098 OXFAD) (11.5549 OXNAD) (30.591 TRANS) (32.9019 UDH) (0.168862 CINTAKE) (-1.76279 EMP2A) (0.607296 EMP2B) (-1.15549 EMP4) (-1.15549 EMP5) (2.31098 CK6) (2.31098 CK7) (4.62196 CK8) irreversible 9: (27) (0.947901 EMP1A) (1.0501 EMP1B) (1.998 ED1) (1.998 ED2) (62.8858 EMP10) (7.99198 CPD) (1.998 VP1) (3.99599 CK1) (3.99599 CK2) (3.99599 CGLX1) (3.99599 CGLX2) (1.0501 GLN3) (56.8918 AD1) (60.8878 AD2) (3.99599 OXFAD) (19.98 OXNAD) (1.998 UDH) (0.291985 CINTAKE) (-1.0501 EMP2A) (1.0501 EMP2B) (1.998 EMP6) (1.998 EMP7) (1.998 EMP8) (1.998 EMP9) (3.99599 CK6) (3.99599 CK7) (7.99198 CK8) irreversible 10: (25) (0.360966 EMP1A) (0.399882 EMP1B) (1.5217 ED1) (1.5217 ED2) (21.6647 EMP10) (3.04339 CPD) (1.5217 VP1) (1.5217 CK1) (1.5217 CK2) (1.5217 CGLX1) (1.5217 CGLX2) (1.16073 GLN3) (20.143 AD1) (21.6647 AD2) (1.5217 OXFAD) (7.60849 OXNAD) (1.5217 UDH) (0.11119 CINTAKE) (-1.16073 EMP2A) (0.399882 EMP2B) (-0.760849 EMP4) (-0.760849 EMP5) (1.5217 CK6) (1.5217 CK7) (3.04339 CK8) irreversible 11: (27) (0.0150489 EMP1A) (0.0166714 EMP1B) (0.0150489 ED1) (0.0150489 ED2) (0.0483916 EMP10) (0.0634406 CPD) (0.0150489 VP1) (0.0634406 CK1) (0.0634406 CK2) (0.0634406 CK3) (0.0634406 CK4) (0.0634406 OXFAD) (0.317203 OXNAD) TRANS (1.07849 UDH) (0.00463557 CINTAKE) (0.0166714 EMP2B) (0.0166714 EMP4) (0.0166714 EMP5) (0.0483916 EMP6) (0.0483916 EMP7) (0.0483916 EMP8) (0.0483916 EMP9) (0.0634406 CK5) (0.0634406 CK6) (0.0634406 CK7) (0.0634406 CK8) irreversible 12: (28) (0.0150489 EMP1A) (0.0166714 EMP1B) (0.0150489 ED1) (0.0150489 ED2) (1.04839 EMP10) (0.0634406 CPD) (0.0150489 VP1) (0.0634406 CK1) (0.0634406 CK2) (0.0634406 CK3) (0.0634406 CK4) AD1 AD2 (0.0634406 OXFAD) (0.317203 OXNAD) (0.0784895 UDH) (0.00463557 CINTAKE) (0.0166714 EMP2B) (0.0166714 EMP4) (0.0166714 EMP5) (0.0483916 EMP6) (0.0483916 EMP7) (0.0483916 EMP8) (0.0483916 EMP9) (0.0634406 CK5) (0.0634406 CK6) (0.0634406 CK7) (0.0634406 CK8) irreversible 13: (27) (1.37711 EMP1A) (1.52557 EMP1B) (2.90268 ED1) (2.90268 ED2) (2.90268 EMP10) (5.80536 CPD) (2.90268 VP1) (5.80536 CK1) (5.80536 CK2) (5.80536 CK3) (5.80536 CK4) (1.52557 GLN3) (5.80536 OXFAD) (29.0268 OXNAD) (88.4575 TRANS) (97.1656 UDH) (0.424195 CINTAKE) (-1.52557 EMP2A) (1.52557 EMP2B) (2.90268 EMP6) (2.90268 EMP7) (2.90268 EMP8) (2.90268 EMP9) (5.80536 CK5) (5.80536 CK6) (5.80536 CK7) (5.80536 CK8) irreversible 14: (28) (0.947901 EMP1A) (1.0501 EMP1B) (1.998 ED1) (1.998 ED2) (62.8858 EMP10) (3.99599 CPD) (1.998 VP1) (3.99599 CK1) (3.99599 CK2) (3.99599 CK3) (3.99599 CK4) (1.0501 GLN3) (60.8878 AD1) (60.8878 AD2) (3.99599 OXFAD) (19.98 OXNAD) (5.99399 UDH) (0.291985 CINTAKE) (-1.0501 EMP2A) (1.0501 EMP2B) (1.998 EMP6) (1.998 EMP7) (1.998 EMP8) (1.998 EMP9) (3.99599 CK5) (3.99599 CK6) (3.99599 CK7) (3.99599 CK8) irreversible 15: (26) (0.360966 EMP1A) (0.399882 EMP1B) (1.5217 ED1) (1.5217 ED2) (21.6647 EMP10) (1.5217 CPD) (1.5217 VP1) (1.5217 CK1) (1.5217 CK2) (1.5217 CK3) (1.5217 CK4) (1.16073 GLN3) (21.6647 AD1) (21.6647 AD2) (1.5217 OXFAD) (7.60849 OXNAD) (3.04339 UDH) (0.11119 CINTAKE) (-1.16073 EMP2A) (0.399882 EMP2B) (-0.760849 EMP4) (-0.760849 EMP5) (1.5217 CK5) (1.5217 CK6) (1.5217 CK7) (1.5217 CK8) irreversible overall reaction 1: Csource + 41.0568 O2 = 41.0568 CO2 2: Csource + 41.0568 O2 = 41.0568 CO2 3: Csource + 41.0568 O2 = 41.0568 CO2 4: Csource + 41.0568 O2 = 41.0568 CO2 5: Csource + 41.0568 O2 = 41.0568 CO2 6: Csource + 41.0568 O2 = 41.0568 CO2 7: Csource + 41.0568 O2 = 41.0568 CO2 8: Csource + 41.0568 O2 = 41.0568 CO2 9: Csource + 41.0568 O2 = 41.0568 CO2 10: Csource + 41.0568 O2 = 41.0568 CO2 11: Csource + 41.0568 O2 = 41.0568 CO2 12: Csource + 41.0568 O2 = 41.0568 CO2 13: Csource + 41.0568 O2 = 41.0568 CO2 14: Csource + 41.0568 O2 = 41.0568 CO2 15: Csource + 41.0568 O2 = 41.0568 CO2