begin name bradshaw end name begin reactions vAndpkforward {1.0}dADP = {1.0}dATP vAndpkreverse {1.0}dATP = {1.0}dADP vAnmpkforward {1.0}dAMP = {1.0}dADP vAnmpkreverse {1.0}dADP = {1.0}dAMP vAntransport {1.0}$EXTERNAL = {1.0}dAn vAnucleosidekinase {1.0}dAn = {1.0}dAMP vAnucleotidase {1.0}dAMP = {1.0}dAn vCndpkforward {1.0}dCDP = {1.0}dCTP vCndpkreverse {1.0}dCTP = {1.0}dCDP vCnmpkforward {1.0}dCMP = {1.0}dCDP vCnmpkreverse {1.0}dCDP = {1.0}dCMP vCntransport {1.0}$EXTERNAL = {1.0}dCn vCnucleosidekinase {1.0}dCn = {1.0}dCMP vCnucleotidase {1.0}dCMP = {1.0}dCn vGndpkforward {1.0}dGDP = {1.0}dGTP vGndpkreverse {1.0}dGTP = {1.0}dGDP vGnmpkforward {1.0}dGMP = {1.0}dGDP vGnmpkreverse {1.0}dGDP = {1.0}dGMP vGntransport {1.0}$EXTERNAL = {1.0}dGn vGnucleosidekinase {1.0}dGn = {1.0}dGMP vGnucleotidase {1.0}dGMP = {1.0}dGn vHPolrate {1.0}$EXTERNAL = {1.0}HPolrate vLPolrate {1.0}$EXTERNAL = {1.0}LPolrate vPolrateH {0.313}dGTP + {0.247}dATP + {0.131}dCTP + {0.309}dTTP = {1.0}HDNA vPolrateL {0.131}dGTP + {0.309}dATP + {0.313}dCTP + {0.247}dTTP = {1.0}LDNA vTndpkforward {1.0}dTDP = {1.0}dTTP vTndpkreverse {1.0}dTTP = {1.0}dTDP vTnmpkforward {1.0}dTMP = {1.0}dTDP vTnmpkreverse {1.0}dTDP = {1.0}dTMP vTntransport {1.0}$EXTERNAL = {1.0}dTn vTnucleosidekinase {1.0}dTn = {1.0}dTMP vTnucleotidase {1.0}dTMP = {1.0}dTn vdADPexchangein {1.0}$EXTERNAL = {1.0}dADP vdADPexchangeout {1.0}dADP = {1.0}$EXTERNAL vdATPexchangein {1.0}$EXTERNAL = {1.0}dATP vdATPexchangeout {1.0}dATP = {1.0}$EXTERNAL vdCDPexchangein {1.0}$EXTERNAL = {1.0}dCDP vdCDPexchangeout {1.0}dCDP = {1.0}$EXTERNAL vdCTPexchangein {1.0}$EXTERNAL = {1.0}dCTP vdCTPexchangeout {1.0}dCTP = {1.0}$EXTERNAL vdGDPexchangein {1.0}$EXTERNAL = {1.0}dGDP vdGDPexchangeout {1.0}dGDP = {1.0}$EXTERNAL vdGTPexchangein {1.0}$EXTERNAL = {1.0}dGTP vdGTPexchangeout {1.0}dGTP = {1.0}$EXTERNAL vdTDPexchangein {1.0}$EXTERNAL = {1.0}dTDP vdTDPexchangeout {1.0}dTDP = {1.0}$EXTERNAL vdTTPexchangein {1.0}$EXTERNAL = {1.0}dTTP vdTTPexchangeout {1.0}dTTP = {1.0}$EXTERNAL end reactions begin rate equations vAndpkforward = (ndpkculespermito*ndpkMW*Vmax3PfA*dADP[t]*If[dADP[t] > 0, 1, 0])/(conversion*km3PfA + dADP[t] + conversion*km3PfA*((rADPin*If[conversion*rADPin > 0, 1, 0])/KiADPNDPK + (rATPin*If[conversion*rATPin > 0, 1, 0])/KiATPNDPK + (dATP[t]*If[dATP[t] > 0, 1, 0])/(conversion*km3PrA) + (dCDP[t]*If[dCDP[t] > 0, 1, 0])/(conversion*km3PfC) + (dCTP[t]*If[dCTP[t] > 0, 1, 0])/(conversion*km3PrC) + (dGDP[t]*If[dGDP[t] > 0, 1, 0])/(conversion*km3PfG) + (dGTP[t]*If[dGTP[t] > 0, 1, 0])/(conversion*km3PrG) + (dTDP[t]*If[dTDP[t] > 0, 1, 0])/(conversion*km3PfT) + (dTTP[t]*If[dTTP[t] > 0, 1, 0])/(conversion*km3PrT))) vAndpkreverse = (ndpkculespermito*ndpkMW*rADPin*Vmax3PfA*dATP[t]*If[dATP[t] > 0, 1, 0])/(rATPin*(conversion*km3PrA + dATP[t] + conversion*km3PrA*((rADPin*If[conversion*rADPin > 0, 1, 0])/KiADPNDPK + (rATPin*If[conversion*rATPin > 0, 1, 0])/KiATPNDPK + (dADP[t]*If[dADP[t] > 0, 1, 0])/(conversion*km3PfA) + (dCDP[t]*If[dCDP[t] > 0, 1, 0])/(conversion*km3PfC) + (dCTP[t]*If[dCTP[t] > 0, 1, 0])/(conversion*km3PrC) + (dGDP[t]*If[dGDP[t] > 0, 1, 0])/(conversion*km3PfG) + (dGTP[t]*If[dGTP[t] > 0, 1, 0])/(conversion*km3PrG) + (dTDP[t]*If[dTDP[t] > 0, 1, 0])/(conversion*km3PfT) + (dTTP[t]*If[dTTP[t] > 0, 1, 0])/(conversion*km3PrT)))) vAnmpkforward = (akMW*culesAK*Vmax2PfA*dAMP[t]*If[dAMP[t] > 0, 1, 0])/(conversion*km2PfA + dAMP[t] + conversion*km2PfA*((rADPin*If[conversion*rADPin > 0, 1, 0])/km2PrA + (rAMPin*If[conversion*rAMPin > 0, 1, 0])/km2PfA + (dADP[t]*If[dADP[t] > 0, 1, 0])/(conversion*km2PrA))) vAnmpkreverse = (akMW*culesAK*Vmax2PfA*dADP[t]*If[dADP[t] > 0, 1, 0])/(2*(conversion*km2PrA + dADP[t] + conversion*km2PrA*((rADPin*If[conversion*rADPin > 0, 1, 0])/km2PrA + (rAMPin*If[conversion*rAMPin > 0, 1, 0])/km2PfA + (dAMP[t]*If[dAMP[t] > 0, 1, 0])/(conversion*km2PfA)))) vAntransport = (conversion*dnucsidecytoA*dnuctransvmax*If[conversion*dnucsidecytoA > 0, 1, 0])/(conversion*dnucsidecytoA + conversion*dnuctranskm + conversion*dnuctranskm*((dnucsidecytoC*If[conversion*dnucsidecytoC > 0, 1, 0])/dnuctranskm + (dnucsidecytoT*If[conversion*dnucsidecytoT > 0, 1, 0])/dnuctranskm)) - (dnuctransvmax*dAn[t]*If[dAn[t] > 0, 1, 0])/(conversion*dnuctranskm + dAn[t] + conversion*dnuctranskm*((dCn[t]*If[dCn[t] > 0, 1, 0])/(conversion*dnuctranskm) + (dTn[t]*If[dTn[t] > 0, 1, 0])/(conversion*dnuctranskm))) vAnucleosidekinase = (dgkculespermito*nuckinMW*Vmax1PfA*dAn[t])/(conversion*km1PfA + dAn[t] + conversion*km1PfA*(dAMP[t]/(conversion*KiAmpdgk) + dATP[t]/(conversion*KiAtpdgk) + dGMP[t]/(conversion*KiGmpdgk) + dGn[t]/(conversion*KiGdgk) + dGTP[t]/(conversion*KiGtpdgk))) vAnucleotidase = (Vmax1PrA*dAMP[t]*If[dAMP[t] > 0, 1, 0])/(conversion*km1PrA + dAMP[t] + conversion*km1PrA*((rADPin*If[conversion*rADPin > 0, 1, 0])/KiADPtidase + (rAMPin*If[conversion*rAMPin > 0, 1, 0])/KiAMPtidase + (rATPin*If[conversion*rATPin > 0, 1, 0])/KiATPtidase)) vCndpkforward = (ndpkculespermito*ndpkMW*Vmax3PfC*dCDP[t]*If[dCDP[t] > 0, 1, 0])/(conversion*km3PfC + dCDP[t] + conversion*km3PfC*((rADPin*If[conversion*rADPin > 0, 1, 0])/KiADPNDPK + (rATPin*If[conversion*rATPin > 0, 1, 0])/KiATPNDPK + (dADP[t]*If[dADP[t] > 0, 1, 0])/(conversion*km3PfA) + (dATP[t]*If[dATP[t] > 0, 1, 0])/(conversion*km3PrA) + (dCTP[t]*If[dCTP[t] > 0, 1, 0])/(conversion*km3PrC) + (dGDP[t]*If[dGDP[t] > 0, 1, 0])/(conversion*km3PfG) + (dGTP[t]*If[dGTP[t] > 0, 1, 0])/(conversion*km3PrG) + (dTDP[t]*If[dTDP[t] > 0, 1, 0])/(conversion*km3PfT) + (dTTP[t]*If[dTTP[t] > 0, 1, 0])/(conversion*km3PrT))) vCndpkreverse = (ndpkculespermito*ndpkMW*rADPin*Vmax3PfC*dCTP[t]*If[dCTP[t] > 0, 1, 0])/(rATPin*(conversion*km3PrC + dCTP[t] + conversion*km3PrC*((rADPin*If[conversion*rADPin > 0, 1, 0])/KiADPNDPK + (rATPin*If[conversion*rATPin > 0, 1, 0])/KiATPNDPK + (dADP[t]*If[dADP[t] > 0, 1, 0])/(conversion*km3PfA) + (dATP[t]*If[dATP[t] > 0, 1, 0])/(conversion*km3PrA) + (dCDP[t]*If[dCDP[t] > 0, 1, 0])/(conversion*km3PfC) + (dGDP[t]*If[dGDP[t] > 0, 1, 0])/(conversion*km3PfG) + (dGTP[t]*If[dGTP[t] > 0, 1, 0])/(conversion*km3PrG) + (dTDP[t]*If[dTDP[t] > 0, 1, 0])/(conversion*km3PfT) + (dTTP[t]*If[dTTP[t] > 0, 1, 0])/(conversion*km3PrT)))) vCnmpkforward = (nmpkculespermito*nmpkMW*Vmax2PfC*dCMP[t])/(conversion*km2PfC + conversion*km2PfC*(rCDPin/KiCDP + rCMPin/KiCMP + UDPin/KiUDP + UMPin/KiUMP + dCDP[t]/(conversion*km2PrC)) + dCMP[t]) vCnmpkreverse = (0.5*nmpkculespermito*nmpkMW*Vmax2PfC*dCDP[t])/(conversion*km2PrC + dCDP[t] + conversion*km2PrC*(rCDPin/KiCDP + rCMPin/KiCMP + UDPin/KiUDP + UMPin/KiUMP + dCMP[t]/(conversion*km2PfC))) vCntransport = (conversion*dnucsidecytoC*dnuctransvmax*If[conversion*dnucsidecytoC > 0, 1, 0])/(conversion*dnucsidecytoC + conversion*dnuctranskm + conversion*dnuctranskm*((dnucsidecytoA*If[conversion*dnucsidecytoA > 0, 1, 0])/dnuctranskm + (dnucsidecytoT*If[conversion*dnucsidecytoT > 0, 1, 0])/dnuctranskm)) - (dnuctransvmax*dCn[t]*If[dCn[t] > 0, 1, 0])/(conversion*dnuctranskm + dCn[t] + conversion*dnuctranskm*((dAn[t]*If[dAn[t] > 0, 1, 0])/(conversion*dnuctranskm) + (dTn[t]*If[dTn[t] > 0, 1, 0])/(conversion*dnuctranskm))) vCnucleosidekinase = (nuckinMW*tk2culespermito*Vmax1PfC*dCn[t]*If[dCn[t] > 0, 1, 0])/(conversion*km1PfC + dCn[t] + conversion*km1PfC*((dCTP[t]*If[dCTP[t] > 0, 1, 0])/(conversion*KiCtptk2) + (dTn[t]*If[dTn[t] > 0, 1, 0])/(conversion*KiTtk2) + (dTTP[t]*If[dTTP[t] > 0, 1, 0])/(conversion*KiTtptk2))) vCnucleotidase = (Vmax1PrC*dCMP[t]*If[dCMP[t] > 0, 1, 0])/(conversion*km1PrC + dCMP[t] + conversion*km1PrC*((rADPin*If[conversion*rADPin > 0, 1, 0])/KiADPtidase + (rAMPin*If[conversion*rAMPin > 0, 1, 0])/KiAMPtidase + (rATPin*If[conversion*rATPin > 0, 1, 0])/KiATPtidase)) vGndpkforward = (ndpkculespermito*ndpkMW*Vmax3PfG*dGDP[t]*If[dGDP[t] > 0, 1, 0])/(conversion*km3PfG + dGDP[t] + conversion*km3PfG*((rADPin*If[conversion*rADPin > 0, 1, 0])/KiADPNDPK + (rATPin*If[conversion*rATPin > 0, 1, 0])/KiATPNDPK + (dADP[t]*If[dADP[t] > 0, 1, 0])/(conversion*km3PfA) + (dATP[t]*If[dATP[t] > 0, 1, 0])/(conversion*km3PrA) + (dCDP[t]*If[dCDP[t] > 0, 1, 0])/(conversion*km3PfC) + (dCTP[t]*If[dCTP[t] > 0, 1, 0])/(conversion*km3PrC) + (dGTP[t]*If[dGTP[t] > 0, 1, 0])/(conversion*km3PrG) + (dTDP[t]*If[dTDP[t] > 0, 1, 0])/(conversion*km3PfT) + (dTTP[t]*If[dTTP[t] > 0, 1, 0])/(conversion*km3PrT))) vGndpkreverse = (ndpkculespermito*ndpkMW*rADPin*Vmax3PfG*dGTP[t]*If[dGTP[t] > 0, 1, 0])/(rATPin*(conversion*km3PrG + dGTP[t] + conversion*km3PrG*((rADPin*If[conversion*rADPin > 0, 1, 0])/KiADPNDPK + (rATPin*If[conversion*rATPin > 0, 1, 0])/KiATPNDPK + (dADP[t]*If[dADP[t] > 0, 1, 0])/(conversion*km3PfA) + (dATP[t]*If[dATP[t] > 0, 1, 0])/(conversion*km3PrA) + (dCDP[t]*If[dCDP[t] > 0, 1, 0])/(conversion*km3PfC) + (dCTP[t]*If[dCTP[t] > 0, 1, 0])/(conversion*km3PrC) + (dGDP[t]*If[dGDP[t] > 0, 1, 0])/(conversion*km3PfG) + (dTDP[t]*If[dTDP[t] > 0, 1, 0])/(conversion*km3PfT) + (dTTP[t]*If[dTTP[t] > 0, 1, 0])/(conversion*km3PrT)))) vGnmpkforward = (nmpkculespermito*Vmax2PfG*dGMP[t]*If[dGMP[t] > 0, 1, 0])/(conversion*km2PfG + dGMP[t] + conversion*km2PfG*((rGDPin*If[conversion*rGDPin > 0, 1, 0])/KiGDP + (rGMPin*If[conversion*rGMPin > 0, 1, 0])/KiGMP + (dGDP[t]*If[dGDP[t] > 0, 1, 0])/(conversion*km2PrG))) vGnmpkreverse = (0.5*nmpkculespermito*Vmax2PfG*dGDP[t]*If[dGDP[t] > 0, 1, 0])/(conversion*km2PrG + dGDP[t] + conversion*km2PrG*((rGDPin*If[conversion*rGDPin > 0, 1, 0])/KiGDP + (rGMPin*If[conversion*rGMPin > 0, 1, 0])/KiGMP + (dGMP[t]*If[dGMP[t] > 0, 1, 0])/(conversion*km2PfG))) vGntransport = (conversion*dnucsidecytoG*Gdnuctransvmax*nuctransMW*proteinspermito*If[conversion*dnucsidecytoG > 0, 1, 0])/(conversion*dnucsidecytoG + conversion*Gdnuctranskm) - (Gdnuctransvmax*nuctransMW*proteinspermito*dGn[t]*If[dGn[t] > 0, 1, 0])/(conversion*Gdnuctranskm + dGn[t]) vGnucleosidekinase = (dgkculespermito*nuckinMW*Vmax1PfG*dGn[t])/(conversion*km1PfG + dGn[t] + conversion*km1PfG*(dAMP[t]/(conversion*KiAmpdgk) + dAn[t]/(conversion*KiAdgk) + dATP[t]/(conversion*KiAtpdgk) + dGMP[t]/(conversion*KiGmpdgk) + dGTP[t]/(conversion*KiGtpdgk))) vGnucleotidase = (Vmax1PrG*dGMP[t]*If[dGMP[t] > 0, 1, 0])/(conversion*km1PrG + dGMP[t] + conversion*km1PrG*((rADPin*If[conversion*rADPin > 0, 1, 0])/KiADPtidase + (rAMPin*If[conversion*rAMPin > 0, 1, 0])/KiAMPtidase + (rATPin*If[conversion*rATPin > 0, 1, 0])/KiATPtidase)) vHPolrate = (VmaxPolA*VmaxPolC*VmaxPolG*VmaxPolT*dATP[t]*dCTP[t]*dGTP[t]*dTTP[t]*If[dATP[t] > 0, 1, 0]*If[dCTP[t] > 0, 1, 0]*If[dGTP[t] > 0, 1, 0]*If[dTTP[t] > 0, 1, 0])/((conversion*KmPolA + dATP[t])*(conversion*KmPolC + dCTP[t])*(conversion*KmPolG + dGTP[t])*(conversion*KmPolT + dTTP[t])*(0.1 + (fTH*VmaxPolA*VmaxPolC*VmaxPolG*dATP[t]*dCTP[t]*dGTP[t]*If[dATP[t] > 0, 1, 0]*If[dCTP[t] > 0, 1, 0]*If[dGTP[t] > 0, 1, 0])/((conversion*KmPolA + dATP[t])*(conversion*KmPolC + dCTP[t])*(conversion*KmPolG + dGTP[t])) + (fGH*VmaxPolA*VmaxPolC*VmaxPolT*dATP[t]*dCTP[t]*dTTP[t]*If[dATP[t] > 0, 1, 0]*If[dCTP[t] > 0, 1, 0]*If[dTTP[t] > 0, 1, 0])/((conversion*KmPolA + dATP[t])*(conversion*KmPolC + dCTP[t])*(conversion*KmPolT + dTTP[t])) + (fCH*VmaxPolA*VmaxPolG*VmaxPolT*dATP[t]*dGTP[t]*dTTP[t]*If[dATP[t] > 0, 1, 0]*If[dGTP[t] > 0, 1, 0]*If[dTTP[t] > 0, 1, 0])/((conversion*KmPolA + dATP[t])*(conversion*KmPolG + dGTP[t])*(conversion*KmPolT + dTTP[t])) + (fAH*VmaxPolC*VmaxPolG*VmaxPolT*dCTP[t]*dGTP[t]*dTTP[t]*If[dCTP[t] > 0, 1, 0]*If[dGTP[t] > 0, 1, 0]*If[dTTP[t] > 0, 1, 0])/((conversion*KmPolC + dCTP[t])*(conversion*KmPolG + dGTP[t])*(conversion*KmPolT + dTTP[t])))) vLPolrate = (VmaxPolA*VmaxPolC*VmaxPolG*VmaxPolT*dATP[t]*dCTP[t]*dGTP[t]*dTTP[t]*If[dATP[t] > 0, 1, 0]*If[dCTP[t] > 0, 1, 0]*If[dGTP[t] > 0, 1, 0]*If[dTTP[t] > 0, 1, 0])/((conversion*KmPolA + dATP[t])*(conversion*KmPolC + dCTP[t])*(conversion*KmPolG + dGTP[t])*(conversion*KmPolT + dTTP[t])*(0.1 + (fTL*VmaxPolA*VmaxPolC*VmaxPolG*dATP[t]*dCTP[t]*dGTP[t]*If[dATP[t] > 0, 1, 0]*If[dCTP[t] > 0, 1, 0]*If[dGTP[t] > 0, 1, 0])/((conversion*KmPolA + dATP[t])*(conversion*KmPolC + dCTP[t])*(conversion*KmPolG + dGTP[t])) + (fGL*VmaxPolA*VmaxPolC*VmaxPolT*dATP[t]*dCTP[t]*dTTP[t]*If[dATP[t] > 0, 1, 0]*If[dCTP[t] > 0, 1, 0]*If[dTTP[t] > 0, 1, 0])/((conversion*KmPolA + dATP[t])*(conversion*KmPolC + dCTP[t])*(conversion*KmPolT + dTTP[t])) + (fCL*VmaxPolA*VmaxPolG*VmaxPolT*dATP[t]*dGTP[t]*dTTP[t]*If[dATP[t] > 0, 1, 0]*If[dGTP[t] > 0, 1, 0]*If[dTTP[t] > 0, 1, 0])/((conversion*KmPolA + dATP[t])*(conversion*KmPolG + dGTP[t])*(conversion*KmPolT + dTTP[t])) + (fAL*VmaxPolC*VmaxPolG*VmaxPolT*dCTP[t]*dGTP[t]*dTTP[t]*If[dCTP[t] > 0, 1, 0]*If[dGTP[t] > 0, 1, 0]*If[dTTP[t] > 0, 1, 0])/((conversion*KmPolC + dCTP[t])*(conversion*KmPolG + dGTP[t])*(conversion*KmPolT + dTTP[t])))) vPolrateH = HPolrate[t]*If[simtime/2 > t || HDNA[t] > DNAlength/2, 0, 1] vPolrateL = If[simtime/2 > t || LDNA[t] > DNAlength/2 || HDNA[t] < Lstrandstart, 0, 1]*LPolrate[t] vTndpkforward = (ndpkculespermito*ndpkMW*Vmax3PfT*dTDP[t]*If[dTDP[t] > 0, 1, 0])/(conversion*km3PfT + dTDP[t] + conversion*km3PfT*((rADPin*If[conversion*rADPin > 0, 1, 0])/KiADPNDPK + (rATPin*If[conversion*rATPin > 0, 1, 0])/KiATPNDPK + (dADP[t]*If[dADP[t] > 0, 1, 0])/(conversion*km3PfA) + (dATP[t]*If[dATP[t] > 0, 1, 0])/(conversion*km3PrA) + (dCDP[t]*If[dCDP[t] > 0, 1, 0])/(conversion*km3PfC) + (dCTP[t]*If[dCTP[t] > 0, 1, 0])/(conversion*km3PrC) + (dGDP[t]*If[dGDP[t] > 0, 1, 0])/(conversion*km3PfG) + (dGTP[t]*If[dGTP[t] > 0, 1, 0])/(conversion*km3PrG) + (dTTP[t]*If[dTTP[t] > 0, 1, 0])/(conversion*km3PrT))) vTndpkreverse = (ndpkculespermito*ndpkMW*rADPin*Vmax3PfT*dTTP[t]*If[dTTP[t] > 0, 1, 0])/(rATPin*(conversion*km3PrT + dTTP[t] + conversion*km3PrT*((rADPin*If[conversion*rADPin > 0, 1, 0])/KiADPNDPK + (rATPin*If[conversion*rATPin > 0, 1, 0])/KiATPNDPK + (dADP[t]*If[dADP[t] > 0, 1, 0])/(conversion*km3PfA) + (dATP[t]*If[dATP[t] > 0, 1, 0])/(conversion*km3PrA) + (dCDP[t]*If[dCDP[t] > 0, 1, 0])/(conversion*km3PfC) + (dCTP[t]*If[dCTP[t] > 0, 1, 0])/(conversion*km3PrC) + (dGDP[t]*If[dGDP[t] > 0, 1, 0])/(conversion*km3PfG) + (dGTP[t]*If[dGTP[t] > 0, 1, 0])/(conversion*km3PrG) + (dTDP[t]*If[dTDP[t] > 0, 1, 0])/(conversion*km3PfT)))) vTnmpkforward = (culestmpkpermito*tmpkMW*Vmax2PfT*dTMP[t]*If[dTMP[t] > 0, 1, 0])/(conversion*km2PfT + dTMP[t] + dTDP[t]*If[dTDP[t] > 0, 1, 0]) vTnmpkreverse = (0.5*culestmpkpermito*tmpkMW*Vmax2PfT*dTDP[t]*If[dTDP[t] > 0, 1, 0])/(conversion*km2PrT + dTDP[t] + dTMP[t]*If[dTMP[t] > 0, 1, 0]) vTntransport = (conversion*dnucsidecytoT*dnuctransvmax*If[conversion*dnucsidecytoT > 0, 1, 0])/(conversion*dnucsidecytoT + conversion*dnuctranskm + conversion*dnuctranskm*((dnucsidecytoA*If[conversion*dnucsidecytoA > 0, 1, 0])/dnuctranskm + (dnucsidecytoC*If[conversion*dnucsidecytoC > 0, 1, 0])/dnuctranskm)) - (dnuctransvmax*dTn[t]*If[dTn[t] > 0, 1, 0])/(conversion*dnuctranskm + dTn[t] + conversion*dnuctranskm*((dAn[t]*If[dAn[t] > 0, 1, 0])/(conversion*dnuctranskm) + (dCn[t]*If[dCn[t] > 0, 1, 0])/(conversion*dnuctranskm))) vTnucleosidekinase = (nuckinMW*tk2culespermito*Vmax1PfT*dTn[t]^tk2hill*If[dTn[t] > 0, 1, 0])/((conversion*km1PfT)^tk2hill + dTn[t]^tk2hill + (conversion*km1PfT)^tk2hill*((dCn[t]*If[dCn[t] > 0, 1, 0])/(conversion*KiCtk2) + (dCTP[t]*If[dCTP[t] > 0, 1, 0])/(conversion*KiCtptk2) + (dTTP[t]*If[dTTP[t] > 0, 1, 0])/(conversion*KiTtptk2))) vTnucleotidase = (tidaseMW*tidaseTpermito*Vmax1PrT*dTMP[t]*If[dTMP[t] > 0, 1, 0])/(conversion*km1PrT + dTMP[t]) vdADPexchangein = (conversion*dADPcyto*exMW*expermito*exvmax)/(conversion*dADPcyto + conversion*exkmdA + conversion*exkmdA*(dCDPcyto/exkmdC + dGDPcyto/exkmdG + dTDPcyto/exkmdT + dATPcyto/exkmtA + dCTPcyto/exkmtC + dGTPcyto/exkmtG + dTTPcyto/exkmtT)) vdADPexchangeout = (exMW*expermito*exvmax*dADP[t])/(conversion*exkmdAin + dADP[t] + conversion*exkmdAin*(dATP[t]/(conversion*exkmtAin) + dCDP[t]/(conversion*exkmdCin) + dCTP[t]/(conversion*exkmtCin) + dGDP[t]/(conversion*exkmdGin) + dGTP[t]/(conversion*exkmtGin) + dTDP[t]/(conversion*exkmdTin) + dTTP[t]/(conversion*exkmtTin))) vdATPexchangein = (conversion*dATPcyto*exMW*expermito*exvmax)/(conversion*dATPcyto + conversion*exkmtA + conversion*exkmtA*(dADPcyto/exkmdA + dCDPcyto/exkmdC + dGDPcyto/exkmdG + dTDPcyto/exkmdT + dCTPcyto/exkmtC + dGTPcyto/exkmtG + dTTPcyto/exkmtT)) vdATPexchangeout = (exMW*expermito*exvmax*dATP[t])/(conversion*exkmtAin + dATP[t] + conversion*exkmtAin*(dATP[t]/(conversion*exkmtAin) + dCDP[t]/(conversion*exkmdCin) + dCTP[t]/(conversion*exkmtCin) + dGDP[t]/(conversion*exkmdGin) + dGTP[t]/(conversion*exkmtGin) + dTDP[t]/(conversion*exkmdTin) + dTTP[t]/(conversion*exkmtTin))) vdCDPexchangein = (conversion*dCDPcyto*exMW*expermito*exvmax)/(conversion*dCDPcyto + conversion*exkmdC + conversion*exkmdC*(dADPcyto/exkmdA + dGDPcyto/exkmdG + dTDPcyto/exkmdT + dATPcyto/exkmtA + dCTPcyto/exkmtC + dGTPcyto/exkmtG + dTTPcyto/exkmtT)) vdCDPexchangeout = (exMW*expermito*exvmax*dCDP[t])/(conversion*exkmdCin + dCDP[t] + conversion*exkmdCin*(dADP[t]/(conversion*exkmdAin) + dATP[t]/(conversion*exkmtAin) + dCDP[t]/(conversion*exkmdCin) + dGDP[t]/(conversion*exkmdGin) + dGTP[t]/(conversion*exkmtGin) + dTDP[t]/(conversion*exkmdTin) + dTTP[t]/(conversion*exkmtTin))) vdCTPexchangein = (conversion*dCTPcyto*exMW*expermito*exvmax)/(conversion*dCTPcyto + conversion*exkmtC + conversion*exkmtC*(dADPcyto/exkmdA + dGDPcyto/exkmdG + dATPcyto/exkmtA + dCTPcyto/exkmtC + dGTPcyto/exkmtG + (2*dTTPcyto)/exkmtT)) vdCTPexchangeout = (exMW*expermito*exvmax*dCTP[t])/(conversion*exkmtCin + dCTP[t] + conversion*exkmtCin*(dADP[t]/(conversion*exkmdAin) + dATP[t]/(conversion*exkmtAin) + dCDP[t]/(conversion*exkmdCin) + dGDP[t]/(conversion*exkmdGin) + dGTP[t]/(conversion*exkmtGin) + dTDP[t]/(conversion*exkmdTin) + dTTP[t]/(conversion*exkmtTin))) vdGDPexchangein = (conversion*dGDPcyto*exMW*expermito*exvmax)/(conversion*dGDPcyto + conversion*exkmdG + conversion*exkmdG*(dADPcyto/exkmdA + dCDPcyto/exkmdC + dTDPcyto/exkmdT + dATPcyto/exkmtA + dCTPcyto/exkmtC + dGTPcyto/exkmtG + dTTPcyto/exkmtT)) vdGDPexchangeout = (exMW*expermito*exvmax*dGDP[t])/(conversion*exkmdGin + dGDP[t] + conversion*exkmdGin*(dADP[t]/(conversion*exkmdAin) + dATP[t]/(conversion*exkmtAin) + dCDP[t]/(conversion*exkmdCin) + dCTP[t]/(conversion*exkmtCin) + dGTP[t]/(conversion*exkmtGin) + dTDP[t]/(conversion*exkmdTin) + dTTP[t]/(conversion*exkmtTin))) vdGTPexchangein = (conversion*dGTPcyto*exMW*expermito*exvmax)/(conversion*dGTPcyto + conversion*exkmtG + conversion*exkmtG*(dADPcyto/exkmdA + dCDPcyto/exkmdC + dGDPcyto/exkmdG + dTDPcyto/exkmdT + dATPcyto/exkmtA + dCTPcyto/exkmtC + dTTPcyto/exkmtT)) vdGTPexchangeout = (exMW*expermito*exvmax*dGTP[t])/(conversion*exkmtGin + dGTP[t] + conversion*exkmtGin*(dADP[t]/(conversion*exkmdAin) + dATP[t]/(conversion*exkmtAin) + dCDP[t]/(conversion*exkmdCin) + dCTP[t]/(conversion*exkmtCin) + dGDP[t]/(conversion*exkmdGin) + dTDP[t]/(conversion*exkmdTin) + dTTP[t]/(conversion*exkmtTin))) vdTDPexchangein = (conversion*dTDPcyto*exMW*expermito*exvmax)/(conversion*dTDPcyto + conversion*exkmdT + conversion*exkmdT*(dADPcyto/exkmdA + dCDPcyto/exkmdC + dGDPcyto/exkmdG + dATPcyto/exkmtA + dCTPcyto/exkmtC + dGTPcyto/exkmtG + dTTPcyto/exkmtT)) vdTDPexchangeout = (exMW*expermito*exvmax*dTDP[t])/(conversion*exkmdTin + dTDP[t] + conversion*exkmdTin*(dADP[t]/(conversion*exkmdAin) + dATP[t]/(conversion*exkmtAin) + dCDP[t]/(conversion*exkmdCin) + dCTP[t]/(conversion*exkmtCin) + dGDP[t]/(conversion*exkmdGin) + dGTP[t]/(conversion*exkmtGin) + dTTP[t]/(conversion*exkmtTin))) vdTTPexchangein = (conversion*dTTPcyto*exMW*expermito*exvmax)/(conversion*dTTPcyto + conversion*exkmtT + conversion*(dADPcyto/exkmdA + dCDPcyto/exkmdC + dGDPcyto/exkmdG + dTDPcyto/exkmdT + dATPcyto/exkmtA + dCTPcyto/exkmtC + dGTPcyto/exkmtG)*exkmtT) vdTTPexchangeout = (exMW*expermito*exvmax*dTTP[t])/(conversion*exkmtTin + conversion*exkmtTin*(dADP[t]/(conversion*exkmdAin) + dATP[t]/(conversion*exkmtAin) + dCDP[t]/(conversion*exkmdCin) + dCTP[t]/(conversion*exkmtCin) + dGDP[t]/(conversion*exkmdGin) + dGTP[t]/(conversion*exkmtGin) + dTDP[t]/(conversion*exkmdTin)) + dTTP[t]) end rate equations begin parameters DNAlength = 33136.0 Gdnuctranskm = 0.64 Gdnuctransvmax = 0.00057 KiADPNDPK = 75.0 KiADPtidase = 1400.0 KiAMPtidase = 94.0 KiATPNDPK = 75.0 KiATPtidase = 660.0 KiAdgk = 467.0 KiAmpdgk = 28.0 KiAtpdgk = 41.0 KiCDP = 23.0 KiCMP = 23.0 KiCtk2 = 40.0 KiCtptk2 = 0.83 KiGDP = 17.0 KiGMP = 17.0 KiGdgk = 4.0 KiGmpdgk = 4.0 KiGtpdgk = 0.4 KiTtk2 = 4.9 KiTtptk2 = 2.3 KiUDP = 95.0 KiUMP = 95.0 KmPolA = 0.8 KmPolC = 0.9 KmPolG = 0.8 KmPolT = 0.63 Lstrandstart = 10969.0 UDPin = 200.0 UMPin = 100.0 Vmax1PfA = 0.429 Vmax1PfC = 0.789 Vmax1PfG = 0.043 Vmax1PfT = 1.288 Vmax1PrA = 3720000.0 Vmax1PrC = 3720000.0 Vmax1PrG = 3720000.0 Vmax1PrT = 74.0 Vmax2PfA = 1320.0 Vmax2PfC = 23.0 Vmax2PfG = 7860.0 Vmax2PfT = 4.0 Vmax3PfA = 325.0 Vmax3PfC = 140.0 Vmax3PfG = 325.0 Vmax3PfT = 140.0 VmaxPolA = 1350.0 VmaxPolC = 1290.0 VmaxPolG = 1110.0 VmaxPolT = 750.0 akMW = 26.0 conversion = 120.44 culesAK = 450.0 culestmpkpermito = 50.0 dADPcyto = 2.0 dATPcyto = 10.0 dCDPcyto = 2.0 dCTPcyto = 10.0 dGDPcyto = 1.0 dGTPcyto = 5.0 dTDPcyto = 4.0 dTTPcyto = 20.0 dgkculespermito = 200.0 dnucsidecytoA = 0.5 dnucsidecytoC = 0.5 dnucsidecytoG = 0.5 dnucsidecytoT = 0.5 dnuctranskm = 2.0 dnuctransvmax = 1556.19047619048 exMW = 32.0 exkmdA = 14.0 exkmdAin = 14.0 exkmdC = 99.0 exkmdCin = 99.0 exkmdG = 55.0 exkmdGin = 55.0 exkmdT = 117.0 exkmdTin = 117.0 exkmtA = 106.0 exkmtAin = 106.0 exkmtC = 423.0 exkmtCin = 423.0 exkmtG = 230.0 exkmtGin = 230.0 exkmtT = 595.0 exkmtTin = 595.0 expermito = 500.0 exvmax = 0.85 fAH = 0.247 fAL = 0.309 fCH = 0.131 fCL = 0.313 fGH = 0.313 fGL = 0.131 fTH = 0.309 fTL = 0.247 km1PfA = 4.0 km1PfC = 11.0 km1PfG = 4.0 km1PfT = 16.0 km1PrA = 1520.0 km1PrC = 1900.0 km1PrG = 560.0 km1PrT = 200.0 km2PfA = 139.0 km2PfC = 17.0 km2PfG = 17.0 km2PfT = 4.9 km2PrA = 139.0 km2PrC = 17.0 km2PrG = 17.0 km2PrT = 4.9 km3PfA = 75.0 km3PfC = 300.0 km3PfG = 75.0 km3PfT = 300.0 km3PrA = 75.0 km3PrC = 300.0 km3PrG = 75.0 km3PrT = 300.0 ndpkMW = 66.0 ndpkculespermito = 300.0 nmpkMW = 25.0 nmpkculespermito = 50.0 nuckinMW = 28.0 nuctransMW = 50.0 proteinspermito = 400000.0 rADPin = 6000.0 rAMPin = 2900.0 rATPin = 8000.0 rCDPin = 50.0 rCMPin = 50.0 rGDPin = 400.0 rGMPin = 200.0 simtime = 1200.0 tidaseMW = 25.0 tidaseTpermito = 50.0 tidasepermito = 50.0 tk2culespermito = 100.0 tk2hill = 0.5 tmpkMW = 24.0 defaultcompartment = 1.0 end parameters begin initial conditions HDNA[0] = HDNAi HPolrate[0] = HPolratei LDNA[0] = LDNAi LPolrate[0] = LPolratei dADP[0] = dADPi dAMP[0] = dAMPi dATP[0] = dATPi dAn[0] = dAni dCDP[0] = dCDPi dCMP[0] = dCMPi dCTP[0] = dCTPi dCn[0] = dCni dGDP[0] = dGDPi dGMP[0] = dGMPi dGTP[0] = dGTPi dGn[0] = dGni dTDP[0] = dTDPi dTMP[0] = dTMPi dTTP[0] = dTTPi dTn[0] = dTni end initial conditions begin initial values HDNAi = 0.0 HPolratei = 0.0 LDNAi = 0.0 LPolratei = 0.0 dADPi = 240.88 dAMPi = 120.44 dATPi = 1204.8 dAni = 60.22 dCDPi = 240.88 dCMPi = 120.44 dCTPi = 1204.4 dCni = 60.22 dGDPi = 120.44 dGMPi = 60.22 dGTPi = 602.2 dGni = 60.22 dTDPi = 481.76 dTMPi = 240.88 dTTPi = 2408.8 dTni = 60.22 end initial values begin assignment rules end assignment rules begin function definitions If[cond_,val1_,val2_] := Piecewise[{{val1, cond}}, val2] end function definitions begin events end events begin process annotations end process annotations begin species annotations end species annotations begin units end units