METATOOL OUTPUT Version 3.5 (28.03.2001) C:\METATOOL\META35~1.EXE

INPUT FILE: example.txt
INTERNAL METABOLITES: 16
REACTIONS: 24

  6 int      CoA
  5 int      PEP
  5 external CO2
  5 int      OAA
  5 int      OG
  4 int      Pyr
  4 external ATP
  4 int      Glu
  3 external ADP
  3 external NAD
  3 int      AcCoA
  3 external NADH
  3 int      IsoCit
  3 int      SucCoA
  3 int      Succ
  3 int      Fum
  3 int      Mal
  3 int      Asp
  2 int      Cit
  2 external NADP
  2 external NADPH
  2 int      Gly
  2 external NH3
  2 int      Ala
  1 external PG
  1 external FAD
  1 external FADH2
  1 external Aspex
  1 external AMP
  1 external Gluex
  1 external Alaex
  1 external Sucex
 32 metabolites,  88 is the summarized frequency

edges	frequency of nodes
  0	  0
  1	  8
  2	  6
  3	 10
  4	  3
  5	  4
  6	  1

STOICHIOMETRIC MATRIX
 
 matrix dimension r16 x c24
 0  0  0  0  0  0  0  0  1  0  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 -1 -1  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 -1  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 -1  0  0  0  0  0  0  0  0  0  1  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  1 -1  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  0  0  0  0  0  1  0  0  0  0  0  0  0  0  0 -1 
 0  0  0  0  0  0  1 -1  1  0  0  0  1 -1  0  0  0  0  0  0  0  0  0  0 
 0  1  0  0  0  0  0  0  0  0  0  0 -1  0 -1  0  0  0  0  0  0  0  0  0 
 0 -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  1 -1  0  0  0  0 -1  0  0  0  0  0  0 -1  1  0  0  0  0 
 0  0  0  0  0  0  0  0  0  0  1 -1  0  0  0 -1  0  0  0  0  0  0  0  0 
 0  0  1  0  0  0  0  0  0  0 -1  1  0 -1  0  1  0  0  0  0  0  0  0  1 
 0  0  0  0  0  0  0  0 -1  1 -1  0  0  0  0  0  0  0  0  0 -1  0  0  0 
 1  0  0  0  0  0  0  0  0 -1  0  0  0  0  0  0  0  0  1 -1  1  0  0  0 
The following line indicates reversible (0) and irreversible reactions (1)
 0  0  0  0  0  0  0  0  0  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1 
rows and columns are sorted as declared in the inputfile


KERNEL
 
 matrix dimension r9 x c24
 1  1  1  1  1  1  0  0  0  1  1  1  1  1  0  0  0  0  0  0  0  0  0  0 
 2  1  0  1  1  2  1  1  0  2  2  1  0  0  1  1  1  0  0  0  0  0  0  0 
 0  0  0  0  1  1  1  1  0  0  0  0  0  0  0  0  0  1  0  0  0  0  0  0 
 1  1  0  1  1  2  0  0  0  2  2  1  0  0  1  1  0  0  1  0  0  0  0  0 
 1  1  0  1  1  2  0  0  0  2  2  1  0  0  1  1  0  0  0 -1  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 
 3  2  0  1  1  2  0  1  0  3  3  2  1  0  1  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  0  1  0 
 2  1 -1  0  0  1  0  0  0  2  2  1  0  0  1  1  0  0  0  0  0  0  0  1 
24 reactions (columns) are sorted in the same order as in the ENZREV ENZIRREV section.

 enzymes

 1:	 Eno Acn SucCD Sdh Fum Mdh Pyk AceEF GltA Icd SucAB irreversible
 2:	 (2 Eno) Acn Sdh Fum (2 Mdh) AspC Gdh (2 Pyk) (2 AceEF) GltA Icl Mas AspCon irreversible
 3:	 Fum Mdh AspC Gdh AspA irreversible
 4:	 Eno Acn Sdh Fum (2 Mdh) (2 Pyk) (2 AceEF) GltA Icl Mas Pck irreversible
 5:	 Eno Acn Sdh Fum (2 Mdh) (2 Pyk) (2 AceEF) GltA Icl Mas -Ppc irreversible
 6:	 Pyk Pps irreversible
 7:	 (3 Eno) (2 Acn) Sdh Fum (2 Mdh) Gdh (3 Pyk) (3 AceEF) (2 GltA) Icd Icl Mas GluCon irreversible
 8:	 Eno Gdh IlvEAvtA Pyk AlaCon irreversible
 9:	 (2 Eno) Acn -SucCD Mdh (2 Pyk) (2 AceEF) GltA Icl Mas SucCoACon irreversible

 overall reaction

 1:	2 ADP + FAD + NADP + 3 NAD + PG = 2 ATP + FADH2 + NADPH + 3 NADH + 3 CO2
 2:	2 ADP + NH3 + FAD + NADPH + 4 NAD + 2 PG = 2 ATP + Aspex + FADH2 + NADP + 4 NADH + 2 CO2
 3:	NADPH + NAD = NADP + NADH
 4:	ADP + FAD + 4 NAD + PG = ATP + FADH2 + 4 NADH + 3 CO2
 5:	2 ADP + FAD + 4 NAD + PG = 2 ATP + FADH2 + 4 NADH + 3 CO2
 6:	ADP = AMP
 7:	3 ADP + NH3 + FAD + 5 NAD + 3 PG = Gluex + 3 ATP + FADH2 + 5 NADH + 4 CO2
 8:	ADP + NH3 + NADPH + PG = Alaex + ATP + NADP
 9:	ADP + 3 NAD + 2 PG = Sucex + ATP + 3 NADH + 2 CO2

SUBSETS OF REACTIONS
 
 matrix dimension r21 x c24
 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  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  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  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  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  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  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  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  1  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  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  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  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  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  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  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  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  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  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  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  1 
24 reactions (columns) are sorted in the same order as in the ENZREV ENZIRREV section.

 enzymes

 1:	 Eno reversible
 2:	 Acn GltA irreversible
 3:	 SucCD reversible
 4:	 Sdh reversible
 5:	 Fum reversible
 6:	 Mdh reversible
 7:	 AspC reversible
 8:	 Gdh reversible
 9:	 IlvEAvtA AlaCon irreversible
 10:	 Pyk irreversible
 11:	 AceEF irreversible
 12:	 Icd irreversible
 13:	 SucAB irreversible
 14:	 Icl Mas irreversible
 15:	 AspCon irreversible
 16:	 AspA irreversible
 17:	 Pck irreversible
 18:	 Ppc irreversible
 19:	 Pps irreversible
 20:	 GluCon irreversible
 21:	 SucCoACon irreversible

 overall reaction

 1:	PG = PEP
 2:	OAA + AcCoA = IsoCit + CoA
 3:	SucCoA + ADP = Succ + CoA + ATP
 4:	Succ + FAD = Fum + FADH2
 5:	Fum = Mal
 6:	Mal + NAD = OAA + NADH
 7:	Glu + OAA = Asp + OG
 8:	OG + NH3 + NADPH = Glu + NADP
 9:	Glu + Pyr = OG + Alaex
 10:	PEP + ADP = Pyr + ATP
 11:	CoA + Pyr + NAD = AcCoA + NADH + CO2
 12:	IsoCit + NADP = OG + NADPH + CO2
 13:	OG + CoA + NAD = SucCoA + NADH + CO2
 14:	IsoCit + AcCoA = Mal + Succ + CoA
 15:	Asp = Aspex
 16:	Asp = Fum + NH3
 17:	OAA + ATP = PEP + ADP + CO2
 18:	PEP + CO2 = OAA
 19:	Pyr + ATP = PEP + AMP
 20:	Glu = Gluex
 21:	SucCoA = CoA + Sucex

REDUCED SYSTEM with 13 branch point metabolites in 21 reactions (columns)
 
 matrix dimension r13 x c21
 0  0  0  0  0  0  1  0  0  0  0  0  0  0 -1 -1  0  0  0  0  0 
 0  0  0  0  0  0 -1  1 -1  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  1  0  0  0  0  0  0  0 
 0  0  0  1 -1  0  0  0  0  0  0  0  0  0  0  1  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 -1  0  0  0  0  0  0  0  0  0  1  0  0  0  0  0  0  0 -1 
 0  0  0  0  0  0  1 -1  1  0  0  1 -1  0  0  0  0  0  0  0  0 
 0  1  0  0  0  0  0  0  0  0  0 -1  0 -1  0  0  0  0  0  0  0 
 0 -1  0  0  0  1 -1  0  0  0  0  0  0  0  0  0 -1  1  0  0  0 
 0 -1  0  0  0  0  0  0  0  0  1  0  0 -1  0  0  0  0  0  0  0 
 0  1  1  0  0  0  0  0  0  0 -1  0 -1  1  0  0  0  0  0  0  1 
 0  0  0  0  0  0  0  0 -1  1 -1  0  0  0  0  0  0  0 -1  0  0 
 1  0  0  0  0  0  0  0  0 -1  0  0  0  0  0  0  1 -1  1  0  0 
The following line indicates reversible (0) and irreversible reactions (1)
 0  1  0  0  0  0  0  0  1  1  1  1  1  1  1  1  1  1  1  1  1 

-> Branch metabolites are : 
met                 	cons	built	reactions
Asp                 	2	1	3	rii
Glu                 	3	1	4	rrir
Mal                 	1	2	3	rri
Fum                 	1	2	3	rri
Succ                	1	2	3	rri
SucCoA              	2	1	3	iri
OG                  	2	3	5	iirrr
IsoCit              	2	1	3	rii
OAA                 	3	2	5	irrii
AcCoA               	2	1	3	iii
CoA                 	2	4	6	iiirii
Pyr                 	3	1	4	iiir
PEP                 	2	3	5	riiii

-> No branch metabolites are : 
met                 	cons	built	reactions
Ala                 	1	1	2	ri
Gly                 	1	1	2	ii
Cit                 	1	1	2	ir

CONVEX BASIS
 
 matrix dimension r12 x c24
 0  0  0  0  1  1  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  0  0  1  1  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 
 1  0  0  0  0  0  1  1  0  0  0  0  0  0  0  0  1  0  0  1  0  0  0  0
 1  0 -1 -1 -1 -1  0  0  0  0  0  0  0  0  0  0  0  0  0  1  0  0  0  1 
 1  0  0  0  0  0  0  1  1  1  0  0  0  0  0  0  0  0  0  0  0  0  1  0 
 1  1  1  1  1  1  0  0  0  1  1  1  1  1  0  0  0  0  0  0  0  0  0  0 
 2  1  0  0  0  0  0  1  0  1  1  1  1  0  0  0  0  0  0  1  0  1  0  0 
 1  1  0  1  1  2  0  0  0  2  2  1  0  0  1  1  0  0  1  0  0  0  0  0 
 2  1  0  1  1  2  1  1  0  2  2  1  0  0  1  1  1  0  0  0  0  0  0  0 
 2  1 -1  0  0  1  0  0  0  2  2  1  0  0  1  1  0  0  0  0  0  0  0  1 
 3  2  0  1  1  2  0  1  0  3  3  2  1  0  1  1  0  0  0  0  0  1  0  0 

 enzymes

 1:	 Fum Mdh AspC Gdh AspA irreversible
 2:	 Pck Ppc irreversible
 3:	 Pyk Pps irreversible
 4:	 Eno AspC Gdh AspCon Ppc irreversible
 5:	 Eno -SucCD -Sdh -Fum -Mdh Ppc SucCoACon irreversible
 6:	 Eno Gdh IlvEAvtA Pyk AlaCon irreversible
 7:	 Eno Acn SucCD Sdh Fum Mdh Pyk AceEF GltA Icd SucAB irreversible
 8:	 (2 Eno) Acn Gdh Pyk AceEF GltA Icd Ppc GluCon irreversible
 9:	 Eno Acn Sdh Fum (2 Mdh) (2 Pyk) (2 AceEF) GltA Icl Mas Pck irreversible
 10:	 (2 Eno) Acn Sdh Fum (2 Mdh) AspC Gdh (2 Pyk) (2 AceEF) GltA Icl Mas AspCon irreversible
 11:	 (2 Eno) Acn -SucCD Mdh (2 Pyk) (2 AceEF) GltA Icl Mas SucCoACon irreversible
 12:	 (3 Eno) (2 Acn) Sdh Fum (2 Mdh) Gdh (3 Pyk) (3 AceEF) (2 GltA) Icd Icl Mas GluCon irreversible

 overall reaction

 1:	NADPH + NAD = NADP + NADH
 2:	ATP = ADP
 3:	ADP = AMP
 4:	NH3 + NADPH + CO2 + PG = Aspex + NADP
 5:	ATP + FADH2 + NADH + CO2 + PG = Sucex + ADP + FAD + NAD
 6:	ADP + NH3 + NADPH + PG = Alaex + ATP + NADP
 7:	2 ADP + FAD + NADP + 3 NAD + PG = 2 ATP + FADH2 + NADPH + 3 NADH + 3 CO2
 8:	ADP + NH3 + NAD + 2 PG = Gluex + ATP + NADH + CO2
 9:	ADP + FAD + 4 NAD + PG = ATP + FADH2 + 4 NADH + 3 CO2
 10:	2 ADP + NH3 + FAD + NADPH + 4 NAD + 2 PG = 2 ATP + Aspex + FADH2 + NADP + 4 NADH + 2 CO2
 11:	ADP + 3 NAD + 2 PG = Sucex + ATP + 3 NADH + 2 CO2
 12:	3 ADP + NH3 + FAD + 5 NAD + 3 PG = Gluex + 3 ATP + FADH2 + 5 NADH + 4 CO2

CONSERVATION RELATIONS
 
 matrix dimension r1 x c16
 0  0  0  0  0  0  0  1  0  0  0  0  1  1  0  0 
 1 :	SucCoA + AcCoA + CoA = const

ELEMENTARY MODES
 
 matrix dimension r16 x c24
 0  0  0  0  1  1  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  0  0  1  1  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 
 1  0  0  0  0  0  1  1  0  0  0  0  0  0  0  0  1  0  0  1  0  0  0  0 
 1  0 -1 -1 -1 -1  0  0  0  0  0  0  0  0  0  0  0  0  0  1  0  0  0  1 
 1  0 -1 -1  0  0  1  1  0  0  0  0  0  0  0  0  0  1  0  1  0  0  0  1 
 1  0  0  0  0  0  0  1  1  1  0  0  0  0  0  0  0  0  0  0  0  0  1  0 
 2  1 -1  0  0  1  0  0  0  2  2  1  0  0  1  1  0  0  0  0  0  0  0  1 
 1  1  1  1  1  1  0  0  0  1  1  1  1  1  0  0  0  0  0  0  0  0  0  0 
 3  1 -2 -1 -1  0  0  0  0  2  2  1  0  0  1  1  0  0  0  1  0  0  0  2 
 2  1  0  0  0  0  0  1  0  1  1  1  1  0  0  0  0  0  0  1  0  1  0  0 
 2  1  0  0  0  0  0  0  0  1  1  1  1  1  0  0  0  0  0  1  0  0  0  1 
 1  1  0  1  1  2  0  0  0  2  2  1  0  0  1  1  0  0  1  0  0  0  0  0 
 2  1  0  1  1  2  1  1  0  2  2  1  0  0  1  1  1  0  0  0  0  0  0  0 
 3  2  0  1  1  2  0  1  0  3  3  2  1  0  1  1  0  0  0  0  0  1  0  0 
 3  2  0  1  1  2  0  0  0  3  3  2  1  1  1  1  0  0  0  0  0  0  0  1 
24 reactions (columns) are sorted in the same order as in the ENZREV ENZIRREV section.

 enzymes

 1:	 Fum Mdh AspC Gdh AspA irreversible
 2:	 Pck Ppc irreversible
 3:	 Pyk Pps irreversible
 4:	 Eno AspC Gdh AspCon Ppc irreversible
 5:	 Eno -SucCD -Sdh -Fum -Mdh Ppc SucCoACon irreversible
 6:	 Eno -SucCD -Sdh AspC Gdh AspA Ppc SucCoACon irreversible
 7:	 Eno Gdh IlvEAvtA Pyk AlaCon irreversible
 8:	 (2 Eno) Acn -SucCD Mdh (2 Pyk) (2 AceEF) GltA Icl Mas SucCoACon irreversible
 9:	 Eno Acn SucCD Sdh Fum Mdh Pyk AceEF GltA Icd SucAB irreversible
 10:	 (3 Eno) Acn (-2 SucCD) -Sdh -Fum (2 Pyk) (2 AceEF) GltA Icl Mas Ppc (2 SucCoACon) irreversible
 11:	 (2 Eno) Acn Gdh Pyk AceEF GltA Icd Ppc GluCon irreversible
 12:	 (2 Eno) Acn Pyk AceEF GltA Icd SucAB Ppc SucCoACon irreversible
 13:	 Eno Acn Sdh Fum (2 Mdh) (2 Pyk) (2 AceEF) GltA Icl Mas Pck irreversible
 14:	 (2 Eno) Acn Sdh Fum (2 Mdh) AspC Gdh (2 Pyk) (2 AceEF) GltA Icl Mas AspCon irreversible
 15:	 (3 Eno) (2 Acn) Sdh Fum (2 Mdh) Gdh (3 Pyk) (3 AceEF) (2 GltA) Icd Icl Mas GluCon irreversible
 16:	 (3 Eno) (2 Acn) Sdh Fum (2 Mdh) (3 Pyk) (3 AceEF) (2 GltA) Icd SucAB Icl Mas SucCoACon irreversible

 overall reaction

 1:	NADPH + NAD = NADP + NADH
 2:	ATP = ADP
 3:	ADP = AMP
 4:	NH3 + NADPH + CO2 + PG = Aspex + NADP
 5:	ATP + FADH2 + NADH + CO2 + PG = Sucex + ADP + FAD + NAD
 6:	ATP + FADH2 + NADPH + CO2 + PG = Sucex + ADP + FAD + NADP
 7:	ADP + NH3 + NADPH + PG = Alaex + ATP + NADP
 8:	ADP + 3 NAD + 2 PG = Sucex + ATP + 3 NADH + 2 CO2
 9:	2 ADP + FAD + NADP + 3 NAD + PG = 2 ATP + FADH2 + NADPH + 3 NADH + 3 CO2
 10:	FADH2 + 2 NAD + 3 PG = 2 Sucex + FAD + 2 NADH + CO2
 11:	ADP + NH3 + NAD + 2 PG = Gluex + ATP + NADH + CO2
 12:	ADP + NADP + 2 NAD + 2 PG = Sucex + ATP + NADPH + 2 NADH + 2 CO2
 13:	ADP + FAD + 4 NAD + PG = ATP + FADH2 + 4 NADH + 3 CO2
 14:	2 ADP + NH3 + FAD + NADPH + 4 NAD + 2 PG = 2 ATP + Aspex + FADH2 + NADP + 4 NADH + 2 CO2
 15:	3 ADP + NH3 + FAD + 5 NAD + 3 PG = Gluex + 3 ATP + FADH2 + 5 NADH + 4 CO2
 16:	3 ADP + FAD + NADP + 6 NAD + 3 PG = Sucex + 3 ATP + FADH2 + NADPH + 6 NADH + 5 CO2

The elementary modes (4) 6 10 12 16 are additional to the convex basis.
