*** TIME INFORMATION *** Total time: 1.00E-4 dt: 1.00E-8 dt_spring: 1.00E-9 dt_data: 1.00E-5 dt_image: 1.00E-5 *** SYSTEM INFORMATION *** L_x: 4.4963999999999995 L_y: 4.4963999999999995 L_z_out: 0.01 L_z_in: 4.4963999999999995 Partition Nx: 20 Partition Ny: 20 Partition Nz: 20 *** MOLECULES *** MOLECULE: "Enzyme" Intracellular Number 909 Site_Types 1 Total_Sites 1 Total_Links 0 is2D false { TYPE: Name "Enzyme" Radius 2.000 D 10.000 Color RED STATES "Active" SITE 0 : Intracellular : Initial State 'Active' TYPE: Name "Enzyme" Radius 2.000 D 10.000 Color RED STATES "Active" x 0.000 y 9.000 z 18.800 Initial_Positions: Random } MOLECULE: "Substrate" Intracellular Number 9091 Site_Types 1 Total_Sites 1 Total_Links 0 is2D false { TYPE: Name "Substrate" Radius 2.000 D 10.000 Color CYAN STATES "Unphos" "Phos" SITE 0 : Intracellular : Initial State 'Unphos' TYPE: Name "Substrate" Radius 2.000 D 10.000 Color CYAN STATES "Unphos" "Phos" x 0.000 y 6.150 z 15.850 Initial_Positions: Random } *** CREATION/DECAY REACTIONS *** 'Enzyme' : kcreate 0.0 kdecay 0.0 'Substrate' : kcreate 0.0 kdecay 0.0 *** STATE TRANSITION REACTIONS *** 'Substrate Phosphorylation' :: 'Substrate' : 'Substrate' : 'Unphos' --> 'Phos' Rate 1.0 Condition Bound 'Enzyme' : 'Enzyme' : 'Any_State' *** ALLOSTERIC REACTIONS *** *** BIMOLECULAR BINDING REACTIONS *** 'E-S Binding' 'Enzyme' : 'Enzyme' : 'Any_State' + 'Substrate' : 'Substrate' : 'Unphos' kon 5.88 koff 1.0 Bond_Length 2.0 'E-P Unbinding' 'Enzyme' : 'Enzyme' : 'Any_State' + 'Substrate' : 'Substrate' : 'Phos' kon 0.0 koff 10000.0 Bond_Length 2.0 *** MOLECULE COUNTERS *** 'Enzyme' : Measure Total Free Bound 'Substrate' : Measure Total Free Bound *** STATE COUNTERS *** 'Enzyme' : 'Enzyme' : 'Active' : Measure Total Free Bound 'Substrate' : 'Substrate' : 'Unphos' : Measure Total Free Bound 'Substrate' : 'Substrate' : 'Phos' : Measure Total Free Bound *** BOND COUNTERS *** 'E-S Binding' : Counted 'E-P Unbinding' : Counted *** SITE PROPERTY COUNTERS *** 'Enzyme' Site 0 : Track Properties true 'Substrate' Site 0 : Track Properties true *** CLUSTER COUNTERS *** Track_Clusters: false *** SYSTEM ANNOTATIONS *** *** MOLECULE ANNOTATIONS *** Annotation: 'Enzyme' { } Annotation: 'Substrate' { } *** REACTION ANNOTATIONS *** Annotation: 'Substrate Phosphorylation' { } Annotation: 'E-S Binding' { } Annotation: 'E-P Unbinding' { }