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

INPUT FILE: example2.txt

INTERNAL METABOLITES: 15
REACTIONS: 19

  6 int      GAP
  5 int      F6P
  3 external ATP
  3 int      FDP
  3 external ADP
  3 int      Ru5P
  3 int      R5P
  3 int      X5P
  2 external G6P
  2 external Pi
  2 int      DHAP
  2 int      D13PG
  2 external NADP
  2 int      GO6P
  2 external NADPH
  2 int      GL6P
  2 int      S7P
  2 int      E4P
  2 int      P3G
  2 int      P2G
  2 int      PEP
  1 external NAD
  1 external NADH
  1 external CO2
  1 external PYR
  1 external R5Pex
 26 metabolites,  60 is the summarized frequency

edges	frequency of nodes
  0	  0
  1	  5
  2	 13
  3	  6
  4	  0
  5	  1
  6	  1

STOICHIOMETRIC MATRIX
 
 matrix dimension r15 x c19
 0  0  0  0  0  0 -1  1  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  1 -1 -1  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 -1  0  0  1  0  0  0  0  0 
 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  0  0  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 
 1  0  0  0  0  0  1  1  0  0  0 -1  1  0  0  0  0  0  0 
 0  1  1  0  0  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 -1  0  1  0 
 0  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  1 -1  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 -1  0  0 
 0  0  0  1  0 -1  0  0  0  0  0  0  0  0  0  0  0  0 -1 
The following line indicates reversible (0) and irreversible reactions (1)
 0  0  0  0  0  0  0  0  0  0  0  1  1  1  1  1  1  1  1 
rows and columns are sorted as declared in the inputfile


KERNEL
 
 matrix dimension r4 x c19
 0  0  0  0  0  0  0  0  0  0  0  1  1  0  0  0  0  0  0 
 5  1  1 -2 -4 -2 -2 -2  0  0 -6  1  0 -6 -6  0  0  0  0 
 1  1  1  0  0  0  0  0  2  2  0  1  0  0  0  2  2  2  0 
-5 -1 -1 -4  4  2  2  2  0  0  0 -1  0  0  0  0  0  0 -6 
19 reactions (columns) are sorted in the same order as in the ENZREV ENZIRREV section.

 enzymes

 1:	 Pfk Fbp irreversible
 2:	 (5 Pgi) Ald Tpi (-2 Rpi) (-4 Rpe) (-2 TktI) (-2 TktII) (-2 Tal) (-6 Pgl) Pfk (-6 Zwf) (-6 Gnd) irreversible
 3:	 Pgi Ald Tpi (2 Gpm) (2 Eno) Pfk (2 Pgk) (2 Pyk) (2 Gap) irreversible
 4:	 (-5 Pgi) -Ald -Tpi (-4 Rpi) (4 Rpe) (2 TktI) (2 TktII) (2 Tal) -Pfk (-6 Prs_DeoB) irreversible

 overall reaction

 1:	ATP = ADP + Pi
 2:	6 CO2 + ATP + 12 NADPH = ADP + 12 NADP + G6P
 3:	3 ADP + 2 NAD + G6P + 2 Pi = 3 ATP + 2 NADH + 2 PYR
 4:	ADP + 6 R5Pex = ATP + 5 G6P

SUBSETS OF REACTIONS
 
 matrix dimension r9 x c19
 1  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  1  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0 
 0  0  0  0  2  1  1  1  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  1  1  1  0 
 0  0  0  0  0  0  0  0  0  0  1  0  0  1  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  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 
19 reactions (columns) are sorted in the same order as in the ENZREV ENZIRREV section.

 enzymes

 1:	 Pgi reversible
 2:	 Ald Tpi reversible
 3:	 Rpi reversible
 4:	 (2 Rpe) TktI TktII Tal reversible
 5:	 Gpm Eno Pgk Pyk Gap irreversible
 6:	 Pgl Zwf Gnd irreversible
 7:	 Pfk irreversible
 8:	 Fbp irreversible
 9:	 Prs_DeoB irreversible

 overall reaction

 1:	G6P = F6P
 2:	FDP = 2 GAP
 3:	Ru5P = R5P
 4:	2 Ru5P + R5P = 2 F6P + GAP
 5:	GAP + 2 ADP + NAD + Pi = 2 ATP + NADH + PYR
 6:	2 NADP + G6P = Ru5P + CO2 + 2 NADPH
 7:	F6P + ATP = FDP + ADP
 8:	FDP = F6P + Pi
 9:	R5P = R5Pex

REDUCED SYSTEM with 5 branch point metabolites in 9 reactions (columns)
 
 matrix dimension r5 x c9
 0  0 -1 -2  0  1  0  0  0 
 0 -1  0  0  0  0  1 -1  0 
 1  0  0  2  0  0 -1  1  0 
 0  2  0  1 -1  0  0  0  0 
 0  0  1 -1  0  0  0  0 -1 
The following line indicates reversible (0) and irreversible reactions (1)
 0  0  0  0  1  1  1  1  1 

-> Branch metabolites are : 
met                 	cons	built	reactions
Ru5P                	2	1	3	irr
FDP                 	2	1	3	iir
F6P                 	1	4	5	riirr
GAP                 	2	4	6	rrirrr
R5P                 	2	1	3	rri

-> No branch metabolites are : 
met                 	cons	built	reactions
E4P                 	1	1	2	rr
S7P                 	1	1	2	rr
X5P                 	2	1	3	rrr
GO6P                	1	1	2	ir
GL6P                	1	1	2	ri
DHAP                	1	1	2	rr
D13PG               	1	1	2	ii
P3G                 	1	1	2	ir
P2G                 	1	1	2	rr
PEP                 	1	1	2	ri

CONVEX BASIS
 
 matrix dimension r6 x c19
 0  0  0  1  0  0  0  0  0  0  1  0  0  1  1  0  0  0  1 
-2  0  0  1  2  1  1  1  1  1  3  0  0  3  3  1  1  1  0 
-5 -1 -1  2  4  2  2  2  0  0  6  0  1  6  6  0  0  0  0 
 5  1  1  4 -4 -2 -2 -2  0  0  0  1  0  0  0  0  0  0  6 
 1  1  1  0  0  0  0  0  2  2  0  1  0  0  0  2  2  2  0 
 0  0  0  0  0  0  0  0  0  0  0  1  1  0  0  0  0  0  0 

 enzymes

 1:	 Rpi Pgl Zwf Gnd Prs_DeoB irreversible
 2:	 (-2 Pgi) Rpi (2 Rpe) TktI TktII Tal Gpm Eno (3 Pgl) (3 Zwf) (3 Gnd) Pgk Pyk Gap irreversible
 3:	 (-5 Pgi) -Ald -Tpi (2 Rpi) (4 Rpe) (2 TktI) (2 TktII) (2 Tal) (6 Pgl) Fbp (6 Zwf) (6 Gnd) irreversible
 4:	 (5 Pgi) Ald Tpi (4 Rpi) (-4 Rpe) (-2 TktI) (-2 TktII) (-2 Tal) Pfk (6 Prs_DeoB) irreversible
 5:	 Pgi Ald Tpi (2 Gpm) (2 Eno) Pfk (2 Pgk) (2 Pyk) (2 Gap) irreversible
 6:	 Pfk Fbp irreversible

 overall reaction

 1:	2 NADP + G6P = CO2 + 2 NADPH + R5Pex
 2:	2 ADP + NAD + 6 NADP + G6P + Pi = 3 CO2 + 2 ATP + NADH + 6 NADPH + PYR
 3:	12 NADP + G6P = 6 CO2 + 12 NADPH + Pi
 4:	ATP + 5 G6P = ADP + 6 R5Pex
 5:	3 ADP + 2 NAD + G6P + 2 Pi = 3 ATP + 2 NADH + 2 PYR
 6:	ATP = ADP + Pi

CONSERVATION RELATIONS
 
 matrix dimension r0 x c15

ELEMENTARY MODES
 
 matrix dimension r7 x c19
 0  0  0  0  0  0  0  0  0  0  0  1  1  0  0  0  0  0  0 
 1  1  1  0  0  0  0  0  2  2  0  1  0  0  0  2  2  2  0 
 0  0  0  1  0  0  0  0  0  0  1  0  0  1  1  0  0  0  1 
-2  0  0  1  2  1  1  1  1  1  3  0  0  3  3  1  1  1  0 
-5 -1 -1  2  4  2  2  2  0  0  6  0  1  6  6  0  0  0  0 
 0  2  2  1  2  1  1  1  5  5  3  2  0  3  3  5  5  5  0 
 5  1  1  4 -4 -2 -2 -2  0  0  0  1  0  0  0  0  0  0  6 
19 reactions (columns) are sorted in the same order as in the ENZREV ENZIRREV section.

 enzymes

 1:	 Pfk Fbp irreversible
 2:	 Pgi Ald Tpi (2 Gpm) (2 Eno) Pfk (2 Pgk) (2 Pyk) (2 Gap) irreversible
 3:	 Rpi Pgl Zwf Gnd Prs_DeoB irreversible
 4:	 (-2 Pgi) Rpi (2 Rpe) TktI TktII Tal Gpm Eno (3 Pgl) (3 Zwf) (3 Gnd) Pgk Pyk Gap irreversible
 5:	 (-5 Pgi) -Ald -Tpi (2 Rpi) (4 Rpe) (2 TktI) (2 TktII) (2 Tal) (6 Pgl) Fbp (6 Zwf) (6 Gnd) irreversible
 6:	 (2 Ald) (2 Tpi) Rpi (2 Rpe) TktI TktII Tal (5 Gpm) (5 Eno) (3 Pgl) (2 Pfk) (3 Zwf) (3 Gnd) (5 Pgk) (5 Pyk) (5 Gap) irreversible
 7:	 (5 Pgi) Ald Tpi (4 Rpi) (-4 Rpe) (-2 TktI) (-2 TktII) (-2 Tal) Pfk (6 Prs_DeoB) irreversible

 overall reaction

 1:	ATP = ADP + Pi
 2:	3 ADP + 2 NAD + G6P + 2 Pi = 3 ATP + 2 NADH + 2 PYR
 3:	2 NADP + G6P = CO2 + 2 NADPH + R5Pex
 4:	2 ADP + NAD + 6 NADP + G6P + Pi = 3 CO2 + 2 ATP + NADH + 6 NADPH + PYR
 5:	12 NADP + G6P = 6 CO2 + 12 NADPH + Pi
 6:	8 ADP + 5 NAD + 6 NADP + 3 G6P + 5 Pi = 3 CO2 + 8 ATP + 5 NADH + 6 NADPH + 5 PYR
 7:	ATP + 5 G6P = ADP + 6 R5Pex

The elementary mode 6 is additional to the convex basis.
