#strasen6 #reactions reaction1: {1.0}TGFb = $pool cyt * Function_for_reaction1(TGFb, TGFb_R2_surface, k_medium, kf_R2_activation) reaction10: {1.0}Active_Rec_endo = {1.0}TGFb_R2_endo + {1.0}TGFb_In cyt * kdeg_R1 * Active_Rec_endo reaction11: {1.0}Active_Rec_endo = {1.0}TGFb_R1_endo + {1.0}TGFb_R2_endo cyt * kin_deg_Ligand * Active_Rec_endo reaction12: {1.0}TGFb_R1_endo = $pool cyt * kdeg_R1 * TGFb_R1_endo reaction13: {1.0}TGFb_R2_endo = $pool cyt * kdeg_R2 * TGFb_R2_endo reaction14: {1.0}Active_Rec + {1.0}S7 = {1.0}Inactive_Rec cyt * kf_Seq_S7_Rec * Active_Rec * S7 reaction15: {1.0}Inactive_Rec = {1.0}Active_Rec + {1.0}S7 cyt * Function_for_reaction15(Inactive_Rec, index_seq_kb, kf_Seq_S7_Rec) reaction16: {1.0}Inactive_Rec = {1.0}TGFb_R1_surface + {1.0}TGFb_R2_surface + {1.0}S7 cyt * Function_for_reaction16(Inactive_Rec, index_induced_ligand_deg, kin_deg_Ligand) reaction17: {1.0}Inactive_Rec = {1.0}TGFb_R1_surface + {1.0}TGFb_In + {1.0}S7 cyt * Function_for_reaction17(Inactive_Rec, index_induced_R2_deg, kdeg_R2) reaction18: {1.0}TGFb_R1_surface = {1.0}TGFb_R1_endo cyt * k_in_R1_C1 * TGFb_R1_surface reaction19: {1.0}TGFb_R2_surface = {1.0}TGFb_R2_endo cyt * k_in_R2_C1 * TGFb_R2_surface reaction2: {1.0}TGFb_R2_surface = $pool cyt * Function_for_reaction2(TGFb, TGFb_R2_surface, kf_R2_activation) reaction20: {1.0}TGFb_R1_endo = {1.0}TGFb_R1_surface cyt * Function_for_reaction20_5(TGFb_R1_endo, index_k_out_1_relative_speed_C1, k_in_R1_C1) reaction21: {1.0}TGFb_R2_endo = {1.0}TGFb_R2_surface cyt * Function_for_reaction21_5(TGFb_R2_endo, index_k_out_2_relative_speed_C1, k_in_R2_C1) reaction22: {1.0}Active_Rec = {1.0}Active_Rec_endo cyt * Function_for_reaction22_5(Active_Rec, index_active_Rec_internalize_C1, k_in_R1_C1) reaction23: {1.0}Active_Rec_endo = {1.0}TGFb_R1_endo + {1.0}TGFb_R2_endo + {1.0}TGFb_In cyt * k_disso_Active_Rec * Active_Rec_endo reaction24: {1.0}TGFb_In = $pool cyt * kin_deg_Ligand * TGFb_In reaction25: {1.0}TGFb = $pool cyt * kout_deg_Ligand_100pM * TGFb reaction26: {1.0}S2_c = {1.0}pS2_c cyt * Function_for_reaction26(Active_Rec_endo, S2_c, k_phosphorylation) reaction27: {2.0}pS2_c + {1.0}S4_c = {1.0}pS2_pS2_S4_c cyt * kf_trimmer * pow(pS2_c, 2) * S4_c reaction28: {1.0}pS2_pS2_S4_c = {2.0}pS2_c + {1.0}S4_c cyt * kb_trimmer * pS2_pS2_S4_c reaction29: {2.0}pS2_n + {1.0}S4_n = {1.0}pS2_pS2_S4_n nuc * kf_trimmer * pow(pS2_n, 2) * S4_n reaction3: $pool = {1.0}Active_R2 cyt * Function_for_reaction3(TGFb, TGFb_R2_surface, kf_R2_activation) reaction30: {1.0}pS2_pS2_S4_n = {2.0}pS2_n + {1.0}S4_n nuc * kb_trimmer * pS2_pS2_S4_n reaction31: {3.0}pS2_c = {1.0}pS2_pS2_pS2_c cyt * Function_for_reaction31_2_0(index_kf_homotrimer, kf_trimmer, pS2_c) reaction32: {3.0}pS2_n = {1.0}pS2_pS2_pS2_n nuc * Function_for_reaction32_1_0(index_kf_homotrimer, kf_trimmer, pS2_n) reaction33: {1.0}pS2_pS2_pS2_n = {3.0}pS2_n nuc * Function_for_reaction33_4(index_kb_homotrimer, kb_trimmer, pS2_pS2_pS2_n) reaction34: {1.0}pS2_pS2_pS2_c = {3.0}pS2_c cyt * Function_for_reaction34_4(index_kb_homotrimer, kb_trimmer, pS2_pS2_pS2_c) reaction35: {1.0}S2_c = {1.0}S2_n Function_for_reaction35_6(S2_c, S2_import_to_nuc_C1, cyt) reaction36: {1.0}S2_n = {1.0}S2_c Function_for_reaction36_6(S2_export_from_nuc_C1, S2_n, nuc) reaction37: {1.0}S4_c = {1.0}S4_n Function_for_reaction37_6(S4_c, S4_import_to_nuc_C1, cyt) reaction38: {1.0}S4_n = {1.0}S4_c Function_for_reaction38_6(S4_export_from_nuc_C1, S4_n, nuc) reaction39: {1.0}pS2_c = {1.0}pS2_n Function_for_reaction39_6(S2_import_to_nuc_C1, cyt, pS2_c) reaction4: {1.0}Active_R2 = $pool cyt * Function_for_reaction4(Active_R2, index_kb_R2, kf_R2_activation) reaction40: {1.0}pS2_n = {1.0}pS2_c Function_for_reaction40_6(S2_export_from_nuc_C1, nuc, pS2_n) reaction41: {1.0}pS2_pS2_S4_c = {1.0}pS2_pS2_S4_n Function_for_reaction41_2_0(Trimer_import_to_nuc, cyt, pS2_pS2_S4_c) reaction42: {1.0}pS2_pS2_pS2_c = {1.0}pS2_pS2_pS2_n Function_for_reaction42(Trimer_import_to_nuc, cyt, pS2_pS2_pS2_c) reaction43: {1.0}pS2_n = {1.0}S2_n nuc * k_Dephos_C1 * pS2_n reaction44: {1.0}pS2_pS2_S4_n = {1.0}pS2_n + {1.0}S2_n + {1.0}S4_n nuc * Function_for_reaction44_6(index_trimer_dephos, k_Dephos_C1, pS2_pS2_S4_n) reaction45: $pool = {1.0}S2_c cyt * Function_for_reaction45_6(S2_export_from_nuc_C1, S2_import_to_nuc_C1, S2_total_C1, kdeg_S2) reaction46: $pool = {1.0}S4_c cyt * Function_for_reaction46_6(S4_export_from_nuc_C1, S4_import_to_nuc_C1, S4_total_C1, kdeg_S4) reaction47: $pool = {1.0}TGFb_R1_surface cyt * Function_for_reaction47_6(R1_total_C1, index_k_out_1_relative_speed_C1, k_in_R1_C1, kdeg_R1) reaction48: $pool = {1.0}TGFb_R2_surface cyt * Function_for_reaction48_3(R2_total_C1, index_k_out_2_relative_speed_C1, k_in_R2_C1, kdeg_R2) reaction5: $pool = {1.0}TGFb_R2_surface cyt * Function_for_reaction5(Active_R2, index_kb_R2, kf_R2_activation) reaction51: $pool = {1.0}Smad7mRNA1 nuc * Function_for_reaction51_5(K_mran, hill_fact1, k_induced_S7_production_C1, mRNA_prod_C1, pS2_pS2_S4_n) reaction52: {1.0}Smad7mRNA1 = {1.0}Smad7mRNA Function_for_reaction52_3_0(Smad7mRNA1, export_cytoplasm, nuc) reaction53: $pool = {1.0}S7 cyt * Function_for_reaction53_3(Smad7mRNA, k_S7_protein_C1) reaction54: {1.0}S2_c = $pool cyt * kdeg_S2 * S2_c reaction55: {1.0}S2_n = $pool nuc * kdeg_S2 * S2_n reaction56: {1.0}pS2_n = $pool nuc * kdeg_S2 * pS2_n reaction57: {1.0}pS2_c = $pool cyt * kdeg_S2 * pS2_c reaction58: {1.0}S4_c = $pool cyt * kdeg_S4 * S4_c reaction59: {1.0}S4_n = $pool nuc * kdeg_S4 * S4_n reaction6: $pool = {1.0}TGFb cyt * Function_for_reaction6(Active_R2, index_kb_R2, k_medium, kf_R2_activation) reaction60: {1.0}pS2_pS2_S4_c = {1.0}pS2_c + {1.0}S4_c cyt * kdeg_S2 * pS2_pS2_S4_c reaction61: {1.0}pS2_pS2_S4_c = {2.0}pS2_c cyt * kdeg_S4 * pS2_pS2_S4_c reaction62: {1.0}pS2_pS2_pS2_c = {2.0}pS2_c cyt * kdeg_S2 * pS2_pS2_pS2_c reaction63: {1.0}pS2_pS2_S4_n = {1.0}pS2_n + {1.0}S4_n nuc * kdeg_S2 * pS2_pS2_S4_n reaction64: {1.0}pS2_pS2_S4_n = {2.0}pS2_n nuc * kdeg_S4 * pS2_pS2_S4_n reaction65: {1.0}pS2_pS2_pS2_n = {2.0}pS2_n nuc * kdeg_S2 * pS2_pS2_pS2_n reaction66: {1.0}Smad7mRNA1 = $pool nuc * kmRNA1deg_S7 * Smad7mRNA1 reaction67: {1.0}Smad7mRNA = $pool cyt * kmRNAdeg_S7 * Smad7mRNA reaction68: {1.0}S7 = $pool cyt * kdeg_S7 * S7 reaction7: {1.0}TGFb_R1_surface + {1.0}Active_R2 = {1.0}Active_Rec cyt * kf_R1_activation * TGFb_R1_surface * Active_R2 reaction8: {1.0}Active_Rec = {1.0}TGFb_R1_surface + {1.0}Active_R2 cyt * Function_for_reaction8(Active_Rec, index_kb_R1, kf_R1_activation) reaction9: {1.0}Active_Rec_endo = {1.0}TGFb_R1_endo + {1.0}TGFb_In cyt * kdeg_R2 * Active_Rec_endo #parameters K_mran = 223.586 R1_total_C1 = 17.5179664067755 R2_total_C1 = 17.4996134575763 S2_export_from_nuc_C1 = 2.104009010142 S2_import_to_nuc_C1 = 0.399850475956441 S2_total_C1 = 1751.99355843376 S4_export_from_nuc_C1 = 0.258219489840727 S4_import_to_nuc_C1 = 0.033282428730513 S4_total_C1 = 792.184236654885 S7KD = 1.0 Trimer_import_to_nuc = 0.144035002432848 export_cytoplasm = 0.0304372961307751 hill_fact1 = 3.98630224594983 index_active_Rec_internalize_C1 = 0.5069458643727 index_induced_R2_deg = 1.00037776866312 index_induced_ligand_deg = 2.72106513634098 index_k_out_1_relative_speed_C1 = 0.347249922630908 index_k_out_2_relative_speed_C1 = 0.124917902398145 index_kb_R1 = 1.61290474569122 index_kb_R2 = 8.70498854136694 index_kb_homotrimer = 0.0163921522930962 index_kf_homotrimer = 4.4857919268227 index_seq_kb = 0.000865131944828012 index_trimer_dephos = 2.61013820571304 k_Dephos_C1 = 0.0876347503049301 k_S7_protein_C1 = 0.414415667607617 k_disso_Active_Rec = 0.00103940411358367 k_in_R1_C1 = 0.254881953552674 k_in_R2_C1 = 1.01272286568778 k_induced_S7_production_C1 = 9.21283556540176 k_medium = 2000000.0 k_phosphorylation = 0.0701560191772152 kb_trimmer = 1.6077346670684 kdeg_R1 = 0.0586584495713968 kdeg_R2 = 0.0010003937382472 kdeg_S2 = 0.000514084012175461 kdeg_S4 = 0.00480202699360057 kdeg_S7 = 0.00102401829734485 kf_R1_activation = 4.98548548076033 kf_R2_activation = 4.95559496701657 kf_Seq_S7_Rec = 0.882455038106022 kf_trimmer = 4.81424700307387 kin_deg_Ligand = 0.720182234635314 kmRNA1deg_S7 = 0.00523181439900629 kmRNAdeg_S7 = 0.0990158065483902 kout_deg_Ligand_100pM = 0.00036189622 mRNA_prod_C1 = 0.0254130031757049 cyt = 2.0 nuc = 1.0 #initial values Active_R2 = 0.0 Active_Rec = 0.0 Active_Rec_endo = 0.0 Inactive_Rec = 0.0 S2_c = 1269.5683411637406 S2_n = 482.4252172700195 S4_c = 632.1908785904236 S4_n = 159.99335806446143 S7 = 44.316321578389555 Smad7mRNA = 0.10950532934545645 Smad7mRNA1 = 0.7124652899456714 TGFb = 100.0 TGFb_In = 0.0 TGFb_R1_endo = 11.105668789597434 TGFb_R1_surface = 6.412297617178062 TGFb_R2_endo = 15.542698664608169 TGFb_R2_surface = 1.9569147929681294 pS2_c = 0.0 pS2_n = 0.0 pS2_pS2_S4_c = 0.0 pS2_pS2_S4_n = 0.0 pS2_pS2_pS2_c = 0.0 pS2_pS2_pS2_n = 0.0 #assignment rules !F NUC_CYT_SMAD2 = (2.0 * pS2_pS2_S4_n + S2_n + pS2_n + 3.0 * pS2_pS2_pS2_n) / (2.0 * pS2_pS2_S4_c + S2_c + pS2_c + 3.0 * pS2_pS2_pS2_c)