#krab #reactions v_1: {1.0}R00 = {1.0}A00 kf01*O2*R00-kb01*A00 v_10: {1.0}F01 = {1.0}F02 kf10*F01/2.718281828**(q2*96485*deltapsi/(2*8.314*298.15))-kb10*F02*2.718281828**(q2*96485*deltapsi/(2*8.314*298.15)) v_11: {1.0}F02 = {1.0}F03 kf11*(10**(-pHM))*F02/2.718281828**(q3*96485*deltapsi/(2*8.314*298.15))-kb11*F03*2.718281828**(q3*96485*deltapsi/(2*8.314*298.15)) v_12: {1.0}F03 = {1.0}F04 kf12*F03-kb12*F04 v_13: {1.0}F04 = {1.0}F05 kf13*(10**(-pHM))*F04/2.718281828**((1-q2)*96485*deltapsi/(2*8.314*298.15))-kb13*F05*2.718281828**((1-q2)*96485*deltapsi/(2*8.314*298.15)) v_14: {1.0}F05 = {1.0}O00 kf14*F05/2.718281828**((1-q3)*96485*deltapsi/(2*8.314*298.15))-kb14*(10**(-pHC))*O00*2.718281828**((1-q3)*96485*deltapsi/(2*8.314*298.15)) v_15: {1.0}O00 = {1.0}O01 kf15*cred*O00-kb15*(1-cred)*O01 v_16: {1.0}O01 = {1.0}O02 kf16*O01/2.718281828**(q2*96485*deltapsi/(2*8.314*298.15))-kb16*O02*2.718281828**(q2*96485*deltapsi/(2*8.314*298.15)) v_17: {1.0}O02 = {1.0}O03 kf17*(10**(-pHM))*O02/2.718281828**(q3*96485*deltapsi/(2*8.314*298.15))-kb17*O03*2.718281828**(q3*96485*deltapsi/(2*8.314*298.15)) v_18: {1.0}O03 = {1.0}O04 kf18*O03-kb18*O04 v_19: {1.0}O04 = {1.0}O05 kf19*(10**(-pHM))*O04/2.718281828**((1-q2)*96485*deltapsi/(2*8.314*298.15))-kb19*O05*2.718281828**((1-q2)*96485*deltapsi/(2*8.314*298.15)) v_2: {1.0}A00 = {1.0}P00 kf02*A00-kb02*P00 v_20: {1.0}O05 = {1.0}E00 kf20*O05/2.718281828**((1-q3)*96485*deltapsi/(2*8.314*298.15))-kb20*(10**(-pHC))*E00*2.718281828**((1-q3)*96485*deltapsi/(2*8.314*298.15)) v_21: {1.0}E00 = {1.0}E01 kf21*cred*E00-kb21*(1-cred)*E01 v_22: {1.0}E01 = {1.0}E02 kf22*E01/2.718281828**(q2*96485*deltapsi/(2*8.314*298.15))-kb22*E02*2.718281828**(q2*96485*deltapsi/(2*8.314*298.15)) v_23: {1.0}E02 = {1.0}E03 kf23*(10**(-pHM))*E02/2.718281828**(q3*96485*deltapsi/(2*8.314*298.15))-kb23*E03*2.718281828**(q3*96485*deltapsi/(2*8.314*298.15)) v_24: {1.0}E03 = {1.0}E04 kf24*E03-kb24*E04 v_25: {1.0}E04 = {1.0}E05 kf25*(10**(-pHM))*E04/2.718281828**((1-q2)*96485*deltapsi/(2*8.314*298.15))-kb25*E05*2.718281828**((1-q2)*96485*deltapsi/(2*8.314*298.15)) v_26: {1.0}E05 = {1.0}R00 kf26*E05/2.718281828**((1-q3)*96485*deltapsi/(2*8.314*298.15))-kb26*(10**(-pHC))*R00*2.718281828**((1-q3)*96485*deltapsi/(2*8.314*298.15)) v_3: {1.0}P00 = {1.0}P01 kf03*cred*P00-kb03*(1-cred)*P01 v_4: {1.0}P01 = {1.0}P02 kf04*P01/2.718281828**(q2*96485*deltapsi/(2*8.314*298.15))-kb04*P02*2.718281828**(q2*96485*deltapsi/(2*8.314*298.15)) v_5: {1.0}P02 = {1.0}P03 kf05*(10**(-pHM))*P02/2.718281828**(q3*96485*deltapsi/(2*8.314*298.15))-kb05*P03*2.718281828**(q3*96485*deltapsi/(2*8.314*298.15)) v_6: {1.0}P03 = {1.0}P04 kf06*P03-kb06*P04 v_7: {1.0}P04 = {1.0}P05 kf07*(10**(-pHM))*P04/2.718281828**((1-q2)*96485*deltapsi/(2*8.314*298.15))-kb07*P05*2.718281828**((1-q2)*96485*deltapsi/(2*8.314*298.15)) v_8: {1.0}P05 = {1.0}F00 kf08*P05/2.718281828**((1-q3)*96485*deltapsi/(2*8.314*298.15))-kb08*(10**(-pHC))*F00*2.718281828**((1-q3)*96485*deltapsi/(2*8.314*298.15)) v_9: {1.0}F00 = {1.0}F01 kf09*cred*F00-kb09*(1-cred)*F01 #parameters EmaccE = 0.65 EmaccF = 0.35 EmaccP = 0.25 Emcyta = 0.27 O2 = 0.0001 cred = 0.04 deltapsi = 0.18 kb01 = 19200.0 kb02 = 64.0363912 kb15 = 111548.6393 kb16 = 31464.85383 kb17 = 55.55555556 kb18 = 400000000.0 kb19 = 0.078120117 kb20 = 72727272.73 kf01 = 192000000.0 kf02 = 28000.0 kf15 = 200000.0 kf16 = 68535.14617 kf17 = 66666666667.0 kf18 = 600000000.0 kf19 = 12499218799.0 kf20 = 400.0 pHC = 7.0 pHM = 7.0 pKaE = 6.0 pKaF = 7.0 phiE03 = 0.0 phiE04 = 0.0 phiF03 = 0.0 phiF04 = 0.0 phiP03 = 0.0 phiP04 = 0.0 q2 = 0.33 q3 = 0.67 rtotal = 0.002581067 default_compartment = 1.0 #initial values A00 = 0.0 E00 = 0.0 E01 = 0.0 E02 = 0.0 E03 = 0.0 E04 = 0.0 E05 = 0.0 F00 = 0.0 F01 = 0.0 F02 = 0.0 F03 = 0.0 F04 = 0.0 F05 = 0.0 O00 = 0.0 O01 = 0.0 O02 = 0.0 O03 = 0.0 O04 = 0.0 O05 = 0.0 P00 = 0.0 P01 = 0.0 P02 = 0.0 P03 = 0.0 P04 = 0.0 P05 = 0.0 R00 = 1.0 #assignment rules !F kb24 = kb18*(rE03^((phiE03-1)/2)) !F kf12 = kf18*(rF03^((phiF03+1)/2)) !F rF03 = 2.718281828^(96485*(EmaccF-Emcyta)/(8.314*298.15))/(kf18/kb18) !F kb04 = kb16 !F kf06 = kf18*(rP03^((phiP03+1)/2)) !F kf13 = kf19*(rF04^((phiF04+1)/2)) !F kf24 = kf18*(rE03^((phiE03+1)/2)) !F kf04 = kf16 !F kf26 = kf20 !F kf22 = kf16 !F rP04 = rtotal/(rP03*rF03*rE03*rF04*rE04) !F rP03 = 2.718281828^(96485*(EmaccP-Emcyta)/(8.314*298.15))/(kf18/kb18) !F kb03 = kb15 !F rE03 = 2.718281828^(96485*(EmaccE-Emcyta)/(8.314*298.15))/(kf18/kb18) !F kf14 = kf20 !F kb12 = kb18*(rF03^((phiF03-1)/2)) !F kf07 = kf19*(rP04^((phiP04+1)/2)) !F kf10 = kf16 !F kb13 = kb19*(rF04^((phiF04-1)/2)) !F kf08 = kf20 !F kf21 = kf15 !F kb11 = kb17 !F kb09 = kb15 !F kb10 = kb16 !F kb05 = kb17 !F rF04 = (10^pKaF)/(kf19/kb19) !F kf11 = kf17 !F kb22 = kb16 !F kb21 = kb15 !F kf09 = kf15 !F kb26 = kb20 !F kb14 = kb20 !F kb08 = kb20 !F kb07 = kb19*(rP04^((phiP04-1)/2)) !F kb23 = kb17 !F kf03 = kf15 !F kf25 = kf19*(rE04^((phiE04+1)/2)) !F kf05 = kf17 !F kf23 = kf17 !F rE04 = (10^pKaE)/(kf19/kb19) !F kb06 = kb18*(rP03^((phiP03-1)/2)) !F kb25 = kb19*(rE04^((phiE04-1)/2))