PUBLIC EXAMPLE
PTP1B
公开的 AF2-CatGraph 完整分析案例
结果文件
类别汇总
| merged_class | label | representative_structure_id | structure_ids | n_structures | is_catalytic_candidate | input_folder | input_source | graph_file | representative_pdb_path | original_classes | n_common_edges_missing | missing_common_edges | n_rare_edges_present | rare_edges_present | panel_svg | panel_png | topology_status | n_ligand_nodes | n_ligand_bond_edges | n_interaction_ligand_nodes | n_unattached_plip_ligand_nodes | unattached_plip_ligand_nodes | n_disconnected_ligand_entities | disconnected_ligand_entities | topology_message |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| class_1 | Class 1 | PTP1B_9 | PTP1B_9;PTP1B_19;PTP1B_41;PTP1B_80;PTP1B_109;PTP1B_120;PTP1B_129;PTP1B_168;PTP1B_186 | 9 | False | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/05_plip_interaction_graphs/plip_outputs/PTP1B_9 | step06_plip_folder | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/07_ged_classification/classes/class_1/PTP1B_9_final.txt | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/02_template_guided_docking/complexes/PTP1B_9_complex.pdb | class_1;class_3;class_6 | 0 | 0 | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/09_class_visualization/figures/class_panels/PTP1B_class_1.svg | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/09_class_visualization/figures/class_panels/PTP1B_class_1.png | ok | 17 | 17 | 10 | 0 | 0 | All PLIP ligand endpoints are attached to their within-entity covalent topology. | ||||
| class_2 | Class 2 | PTP1B_21 | PTP1B_21;PTP1B_43;PTP1B_59;PTP1B_62;PTP1B_78;PTP1B_102;PTP1B_107;PTP1B_115;PTP1B_187;PTP1B_210;PTP1B_222;PTP1B_231;PTP1B_281;PTP1B_314 | 14 | False | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/05_plip_interaction_graphs/plip_outputs/PTP1B_21 | step06_plip_folder | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/07_ged_classification/classes/class_20/PTP1B_21_final.txt | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/02_template_guided_docking/complexes/PTP1B_21_complex.pdb | class_2;class_8;class_14;class_16;class_20;class_30 | 0 | 0 | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/09_class_visualization/figures/class_panels/PTP1B_class_2.svg | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/09_class_visualization/figures/class_panels/PTP1B_class_2.png | ok | 17 | 17 | 9 | 0 | 0 | All PLIP ligand endpoints are attached to their within-entity covalent topology. | ||||
| class_3 | Class 3 | PTP1B_152 | PTP1B_152 | 1 | True | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/05_plip_interaction_graphs/plip_outputs/PTP1B_152 | step06_plip_folder | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/07_ged_classification/classes/class_4/PTP1B_152_final.txt | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/02_template_guided_docking/complexes/PTP1B_152_complex.pdb | class_4 | 0 | 1 | D181 | Polar contact | Phosphate unit | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/09_class_visualization/figures/class_panels/PTP1B_class_3.svg | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/09_class_visualization/figures/class_panels/PTP1B_class_3.png | ok | 17 | 17 | 10 | 0 | 0 | All PLIP ligand endpoints are attached to their within-entity covalent topology. | |||
| class_4 | Class 4 | PTP1B_3 | PTP1B_3;PTP1B_7;PTP1B_11;PTP1B_14;PTP1B_18;PTP1B_24;PTP1B_31;PTP1B_68;PTP1B_74;PTP1B_93;PTP1B_100;PTP1B_106;PTP1B_108;PTP1B_118;PTP1B_127;PTP1B_155;PTP1B_160;PTP1B_163;PTP1B_171;PTP1B_191;PTP1B_192;PTP1B_205;PTP1B_206;PTP1B_207;PTP1B_213;PTP1B_234;PTP1B_244;PTP1B_253;PTP1B_269;PTP1B_273;PTP1B_292 | 31 | False | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/05_plip_interaction_graphs/plip_outputs/PTP1B_3 | step06_plip_folder | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/07_ged_classification/classes/class_17/PTP1B_3_final.txt | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/02_template_guided_docking/complexes/PTP1B_3_complex.pdb | class_5;class_17;class_19;class_27;class_29;class_40;class_57 | 0 | 0 | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/09_class_visualization/figures/class_panels/PTP1B_class_4.svg | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/09_class_visualization/figures/class_panels/PTP1B_class_4.png | ok | 17 | 17 | 9 | 0 | 0 | All PLIP ligand endpoints are attached to their within-entity covalent topology. | ||||
| class_5 | Class 5 | PTP1B_27 | PTP1B_27;PTP1B_30;PTP1B_38;PTP1B_39;PTP1B_63;PTP1B_81;PTP1B_103;PTP1B_124;PTP1B_131;PTP1B_136;PTP1B_153;PTP1B_162;PTP1B_167;PTP1B_214;PTP1B_215;PTP1B_223;PTP1B_226 | 17 | False | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/05_plip_interaction_graphs/plip_outputs/PTP1B_27 | step06_plip_folder | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/07_ged_classification/classes/class_7/PTP1B_27_final.txt | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/02_template_guided_docking/complexes/PTP1B_27_complex.pdb | class_7;class_11;class_23 | 0 | 0 | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/09_class_visualization/figures/class_panels/PTP1B_class_5.svg | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/09_class_visualization/figures/class_panels/PTP1B_class_5.png | ok | 17 | 17 | 9 | 0 | 0 | All PLIP ligand endpoints are attached to their within-entity covalent topology. | ||||
| class_6 | Class 6 | PTP1B_73 | PTP1B_73 | 1 | True | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/05_plip_interaction_graphs/plip_outputs/PTP1B_73 | step06_plip_folder | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/07_ged_classification/classes/class_9/PTP1B_73_final.txt | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/02_template_guided_docking/complexes/PTP1B_73_complex.pdb | class_9 | 0 | 2 | D181 | Polar contact | Phosphate unit;F182 | π contact | Aromatic ring unit | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/09_class_visualization/figures/class_panels/PTP1B_class_6.svg | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/09_class_visualization/figures/class_panels/PTP1B_class_6.png | ok | 17 | 17 | 9 | 0 | 0 | All PLIP ligand endpoints are attached to their within-entity covalent topology. | |||
| class_7 | Class 7 | PTP1B_126 | PTP1B_126;PTP1B_169;PTP1B_258;PTP1B_259;PTP1B_275;PTP1B_286;PTP1B_289;PTP1B_298;PTP1B_305 | 9 | False | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/05_plip_interaction_graphs/plip_outputs/PTP1B_126 | step06_plip_folder | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/07_ged_classification/classes/class_10/PTP1B_126_final.txt | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/02_template_guided_docking/complexes/PTP1B_126_complex.pdb | class_10;class_15;class_33;class_34;class_51 | 0 | 0 | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/09_class_visualization/figures/class_panels/PTP1B_class_7.svg | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/09_class_visualization/figures/class_panels/PTP1B_class_7.png | ok | 17 | 17 | 10 | 0 | 0 | All PLIP ligand endpoints are attached to their within-entity covalent topology. | ||||
| class_8 | Class 8 | PTP1B_181 | PTP1B_181;PTP1B_290 | 2 | True | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/05_plip_interaction_graphs/plip_outputs/PTP1B_181 | step06_plip_folder | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/07_ged_classification/classes/class_12/PTP1B_181_final.txt | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/02_template_guided_docking/complexes/PTP1B_181_complex.pdb | class_12 | 0 | 1 | Q262 | Polar contact | N1 site | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/09_class_visualization/figures/class_panels/PTP1B_class_8.svg | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/09_class_visualization/figures/class_panels/PTP1B_class_8.png | ok | 17 | 17 | 9 | 0 | 0 | All PLIP ligand endpoints are attached to their within-entity covalent topology. | |||
| class_9 | Class 9 | PTP1B_208 | PTP1B_208 | 1 | True | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/05_plip_interaction_graphs/plip_outputs/PTP1B_208 | step06_plip_folder | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/07_ged_classification/classes/class_13/PTP1B_208_final.txt | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/02_template_guided_docking/complexes/PTP1B_208_complex.pdb | class_13 | 0 | 2 | D181 | Polar contact | Phosphate unit;F182 | π contact | Aromatic ring unit | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/09_class_visualization/figures/class_panels/PTP1B_class_9.svg | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/09_class_visualization/figures/class_panels/PTP1B_class_9.png | ok | 17 | 17 | 10 | 0 | 0 | All PLIP ligand endpoints are attached to their within-entity covalent topology. | |||
| class_10 | Class 10 | PTP1B_6 | PTP1B_6;PTP1B_8;PTP1B_22;PTP1B_50;PTP1B_51;PTP1B_57;PTP1B_58;PTP1B_64;PTP1B_66;PTP1B_69;PTP1B_77;PTP1B_86;PTP1B_91;PTP1B_98;PTP1B_116;PTP1B_122;PTP1B_123;PTP1B_135;PTP1B_140;PTP1B_146;PTP1B_150;PTP1B_176;PTP1B_232;PTP1B_236;PTP1B_238 | 25 | False | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/05_plip_interaction_graphs/plip_outputs/PTP1B_6 | step06_plip_folder | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/07_ged_classification/classes/class_18/PTP1B_6_final.txt | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/02_template_guided_docking/complexes/PTP1B_6_complex.pdb | class_18;class_24;class_37 | 0 | 0 | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/09_class_visualization/figures/class_panels/PTP1B_class_10.svg | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/09_class_visualization/figures/class_panels/PTP1B_class_10.png | ok | 17 | 17 | 9 | 0 | 0 | All PLIP ligand endpoints are attached to their within-entity covalent topology. | ||||
| class_11 | Class 11 | PTP1B_16 | PTP1B_16;PTP1B_28;PTP1B_72;PTP1B_88 | 4 | True | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/05_plip_interaction_graphs/plip_outputs/PTP1B_16 | step06_plip_folder | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/07_ged_classification/classes/class_1/PTP1B_168_final.txt | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/02_template_guided_docking/complexes/PTP1B_16_complex.pdb | class_21;class_39;class_45 | 0 | 1 | F182 | π contact | Aromatic ring unit | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/09_class_visualization/figures/class_panels/PTP1B_class_11.svg | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/09_class_visualization/figures/class_panels/PTP1B_class_11.png | ok | 17 | 17 | 9 | 0 | 0 | All PLIP ligand endpoints are attached to their within-entity covalent topology. | |||
| class_12 | Class 12 | PTP1B_37 | PTP1B_37;PTP1B_157;PTP1B_249 | 3 | False | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/05_plip_interaction_graphs/plip_outputs/PTP1B_37 | step06_plip_folder | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/07_ged_classification/classes/class_22/PTP1B_37_final.txt | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/02_template_guided_docking/complexes/PTP1B_37_complex.pdb | class_22 | 0 | 0 | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/09_class_visualization/figures/class_panels/PTP1B_class_12.svg | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/09_class_visualization/figures/class_panels/PTP1B_class_12.png | ok | 17 | 17 | 8 | 0 | 0 | All PLIP ligand endpoints are attached to their within-entity covalent topology. | ||||
| class_13 | Class 13 | PTP1B_53 | PTP1B_53;PTP1B_166;PTP1B_217;PTP1B_251 | 4 | False | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/05_plip_interaction_graphs/plip_outputs/PTP1B_53 | step06_plip_folder | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/07_ged_classification/classes/class_25/PTP1B_53_final.txt | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/02_template_guided_docking/complexes/PTP1B_53_complex.pdb | class_25;class_31;class_59 | 0 | 0 | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/09_class_visualization/figures/class_panels/PTP1B_class_13.svg | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/09_class_visualization/figures/class_panels/PTP1B_class_13.png | ok | 17 | 17 | 9 | 0 | 0 | All PLIP ligand endpoints are attached to their within-entity covalent topology. | ||||
| class_14 | Class 14 | PTP1B_4 | PTP1B_4;PTP1B_10;PTP1B_12;PTP1B_13;PTP1B_15;PTP1B_17;PTP1B_20;PTP1B_25;PTP1B_32;PTP1B_33;PTP1B_34;PTP1B_40;PTP1B_42;PTP1B_45;PTP1B_46;PTP1B_47;PTP1B_49;PTP1B_52;PTP1B_54;PTP1B_56;PTP1B_65;PTP1B_67;PTP1B_71;PTP1B_76;PTP1B_79;PTP1B_83;PTP1B_85;PTP1B_87;PTP1B_92;PTP1B_94;PTP1B_95;PTP1B_96;PTP1B_110;PTP1B_111;PTP1B_117;PTP1B_121;PTP1B_132;PTP1B_137;PTP1B_139;PTP1B_141;PTP1B_142;PTP1B_144;PTP1B_145;PTP1B_147;PTP1B_159;PTP1B_161;PTP1B_164;PTP1B_174;PTP1B_177;PTP1B_182;PTP1B_183;PTP1B_184;PTP1B_188;PTP1B_190;PTP1B_193;PTP1B_200;PTP1B_202;PTP1B_211;PTP1B_227;PTP1B_230;PTP1B_242;PTP1B_252;PTP1B_255;PTP1B_263;PTP1B_265;PTP1B_288 | 66 | False | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/05_plip_interaction_graphs/plip_outputs/PTP1B_4 | step06_plip_folder | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/07_ged_classification/classes/class_1/PTP1B_41_final.txt | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/02_template_guided_docking/complexes/PTP1B_4_complex.pdb | class_26;class_28;class_35;class_38;class_44;class_46;class_68;class_77 | 0 | 0 | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/09_class_visualization/figures/class_panels/PTP1B_class_14.svg | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/09_class_visualization/figures/class_panels/PTP1B_class_14.png | ok | 17 | 17 | 8 | 0 | 0 | All PLIP ligand endpoints are attached to their within-entity covalent topology. | ||||
| class_15 | Class 15 | PTP1B_134 | PTP1B_134;PTP1B_156;PTP1B_248;PTP1B_301 | 4 | True | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/05_plip_interaction_graphs/plip_outputs/PTP1B_134 | step06_plip_folder | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/07_ged_classification/classes/class_49/PTP1B_134_final.txt | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/02_template_guided_docking/complexes/PTP1B_134_complex.pdb | class_32;class_49;class_66 | 0 | 1 | Q262 | Polar contact | N1 site | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/09_class_visualization/figures/class_panels/PTP1B_class_15.svg | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/09_class_visualization/figures/class_panels/PTP1B_class_15.png | ok | 17 | 17 | 8 | 0 | 0 | All PLIP ligand endpoints are attached to their within-entity covalent topology. | |||
| class_16 | Class 16 | PTP1B_5 | PTP1B_5;PTP1B_23;PTP1B_70;PTP1B_82;PTP1B_89;PTP1B_90;PTP1B_97;PTP1B_99;PTP1B_112;PTP1B_125;PTP1B_130;PTP1B_133;PTP1B_158;PTP1B_178;PTP1B_180;PTP1B_196;PTP1B_197;PTP1B_198;PTP1B_199;PTP1B_201;PTP1B_203;PTP1B_204;PTP1B_219;PTP1B_239;PTP1B_243;PTP1B_247;PTP1B_250;PTP1B_266;PTP1B_277;PTP1B_278;PTP1B_279;PTP1B_293;PTP1B_295;PTP1B_297;PTP1B_300;PTP1B_303;PTP1B_308;PTP1B_309;PTP1B_310;PTP1B_311 | 40 | False | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/05_plip_interaction_graphs/plip_outputs/PTP1B_5 | step06_plip_folder | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/07_ged_classification/classes/class_36/PTP1B_5_final.txt | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/02_template_guided_docking/complexes/PTP1B_5_complex.pdb | class_36;class_69;class_72;class_78;class_79;class_86;class_87;class_89;class_96 | 0 | 0 | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/09_class_visualization/figures/class_panels/PTP1B_class_16.svg | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/09_class_visualization/figures/class_panels/PTP1B_class_16.png | ok | 17 | 17 | 9 | 0 | 0 | All PLIP ligand endpoints are attached to their within-entity covalent topology. | ||||
| class_17 | Class 17 | PTP1B_35 | PTP1B_35;PTP1B_55 | 2 | True | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/05_plip_interaction_graphs/plip_outputs/PTP1B_35 | step06_plip_folder | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/07_ged_classification/classes/class_41/PTP1B_35_final.txt | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/02_template_guided_docking/complexes/PTP1B_35_complex.pdb | class_41;class_43 | 0 | 1 | F182 | π contact | Aromatic ring unit | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/09_class_visualization/figures/class_panels/PTP1B_class_17.svg | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/09_class_visualization/figures/class_panels/PTP1B_class_17.png | ok | 17 | 17 | 9 | 0 | 0 | All PLIP ligand endpoints are attached to their within-entity covalent topology. | |||
| class_18 | Class 18 | PTP1B_44 | PTP1B_44 | 1 | True | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/05_plip_interaction_graphs/plip_outputs/PTP1B_44 | step06_plip_folder | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/07_ged_classification/classes/class_42/PTP1B_44_final.txt | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/02_template_guided_docking/complexes/PTP1B_44_complex.pdb | class_42 | 0 | 1 | D181 | Polar contact | Phosphate unit | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/09_class_visualization/figures/class_panels/PTP1B_class_18.svg | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/09_class_visualization/figures/class_panels/PTP1B_class_18.png | ok | 17 | 17 | 7 | 0 | 0 | All PLIP ligand endpoints are attached to their within-entity covalent topology. | |||
| class_19 | Class 19 | PTP1B_101 | PTP1B_101;PTP1B_114;PTP1B_138;PTP1B_194;PTP1B_209;PTP1B_212;PTP1B_218;PTP1B_237;PTP1B_241;PTP1B_246;PTP1B_285;PTP1B_296;PTP1B_312 | 13 | False | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/05_plip_interaction_graphs/plip_outputs/PTP1B_101 | step06_plip_folder | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/07_ged_classification/classes/class_47/PTP1B_101_final.txt | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/02_template_guided_docking/complexes/PTP1B_101_complex.pdb | class_47;class_48;class_58;class_74 | 0 | 0 | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/09_class_visualization/figures/class_panels/PTP1B_class_19.svg | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/09_class_visualization/figures/class_panels/PTP1B_class_19.png | ok | 17 | 17 | 9 | 0 | 0 | All PLIP ligand endpoints are attached to their within-entity covalent topology. | ||||
| class_20 | Class 20 | PTP1B_143 | PTP1B_143;PTP1B_276 | 2 | False | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/05_plip_interaction_graphs/plip_outputs/PTP1B_143 | step06_plip_folder | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/07_ged_classification/classes/class_50/PTP1B_143_final.txt | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/02_template_guided_docking/complexes/PTP1B_143_complex.pdb | class_50;class_63 | 0 | 0 | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/09_class_visualization/figures/class_panels/PTP1B_class_20.svg | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/09_class_visualization/figures/class_panels/PTP1B_class_20.png | ok | 17 | 17 | 9 | 0 | 0 | All PLIP ligand endpoints are attached to their within-entity covalent topology. | ||||
| class_21 | Class 21 | PTP1B_75 | PTP1B_75;PTP1B_104;PTP1B_154;PTP1B_175;PTP1B_225;PTP1B_282 | 6 | False | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/05_plip_interaction_graphs/plip_outputs/PTP1B_75 | step06_plip_folder | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/07_ged_classification/classes/class_71/PTP1B_75_final.txt | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/02_template_guided_docking/complexes/PTP1B_75_complex.pdb | class_52;class_56;class_71 | 1 | D48 | Polar contact | N1 site | 0 | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/09_class_visualization/figures/class_panels/PTP1B_class_21.svg | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/09_class_visualization/figures/class_panels/PTP1B_class_21.png | ok | 17 | 17 | 7 | 0 | 0 | All PLIP ligand endpoints are attached to their within-entity covalent topology. | |||
| class_22 | Class 22 | PTP1B_189 | PTP1B_189 | 1 | False | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/05_plip_interaction_graphs/plip_outputs/PTP1B_189 | step06_plip_folder | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/07_ged_classification/classes/class_53/PTP1B_189_final.txt | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/02_template_guided_docking/complexes/PTP1B_189_complex.pdb | class_53 | 0 | 0 | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/09_class_visualization/figures/class_panels/PTP1B_class_22.svg | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/09_class_visualization/figures/class_panels/PTP1B_class_22.png | ok | 17 | 17 | 8 | 0 | 0 | All PLIP ligand endpoints are attached to their within-entity covalent topology. | ||||
| class_23 | Class 23 | PTP1B_216 | PTP1B_216 | 1 | False | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/05_plip_interaction_graphs/plip_outputs/PTP1B_216 | step06_plip_folder | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/07_ged_classification/classes/class_54/PTP1B_216_final.txt | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/02_template_guided_docking/complexes/PTP1B_216_complex.pdb | class_54 | 1 | D48 | Polar contact | N1 site | 0 | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/09_class_visualization/figures/class_panels/PTP1B_class_23.svg | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/09_class_visualization/figures/class_panels/PTP1B_class_23.png | ok | 17 | 17 | 7 | 0 | 0 | All PLIP ligand endpoints are attached to their within-entity covalent topology. | |||
| class_24 | Class 24 | PTP1B_224 | PTP1B_224 | 1 | False | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/05_plip_interaction_graphs/plip_outputs/PTP1B_224 | step06_plip_folder | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/07_ged_classification/classes/class_55/PTP1B_224_final.txt | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/02_template_guided_docking/complexes/PTP1B_224_complex.pdb | class_55 | 1 | D48 | Polar contact | N1 site | 0 | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/09_class_visualization/figures/class_panels/PTP1B_class_24.svg | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/09_class_visualization/figures/class_panels/PTP1B_class_24.png | ok | 17 | 17 | 8 | 0 | 0 | All PLIP ligand endpoints are attached to their within-entity covalent topology. | |||
| class_25 | Class 25 | PTP1B_262 | PTP1B_262 | 1 | True | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/05_plip_interaction_graphs/plip_outputs/PTP1B_262 | step06_plip_folder | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/07_ged_classification/classes/class_60/PTP1B_262_final.txt | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/02_template_guided_docking/complexes/PTP1B_262_complex.pdb | class_60 | 0 | 1 | Q262 | Polar contact | N1 site | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/09_class_visualization/figures/class_panels/PTP1B_class_25.svg | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/09_class_visualization/figures/class_panels/PTP1B_class_25.png | ok | 17 | 17 | 7 | 0 | 0 | All PLIP ligand endpoints are attached to their within-entity covalent topology. | |||
| class_26 | Class 26 | PTP1B_268 | PTP1B_268 | 1 | False | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/05_plip_interaction_graphs/plip_outputs/PTP1B_268 | step06_plip_folder | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/07_ged_classification/classes/class_61/PTP1B_268_final.txt | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/02_template_guided_docking/complexes/PTP1B_268_complex.pdb | class_61 | 1 | G220 | Polar contact | Phosphate unit | 0 | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/09_class_visualization/figures/class_panels/PTP1B_class_26.svg | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/09_class_visualization/figures/class_panels/PTP1B_class_26.png | ok | 17 | 17 | 9 | 0 | 0 | All PLIP ligand endpoints are attached to their within-entity covalent topology. | |||
| class_27 | Class 27 | PTP1B_271 | PTP1B_271 | 1 | False | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/05_plip_interaction_graphs/plip_outputs/PTP1B_271 | step06_plip_folder | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/07_ged_classification/classes/class_62/PTP1B_271_final.txt | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/02_template_guided_docking/complexes/PTP1B_271_complex.pdb | class_62 | 1 | G220 | Polar contact | Phosphate unit | 0 | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/09_class_visualization/figures/class_panels/PTP1B_class_27.svg | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/09_class_visualization/figures/class_panels/PTP1B_class_27.png | ok | 17 | 17 | 9 | 0 | 0 | All PLIP ligand endpoints are attached to their within-entity covalent topology. | |||
| class_28 | Class 28 | PTP1B_294 | PTP1B_294 | 1 | False | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/05_plip_interaction_graphs/plip_outputs/PTP1B_294 | step06_plip_folder | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/07_ged_classification/classes/class_64/PTP1B_294_final.txt | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/02_template_guided_docking/complexes/PTP1B_294_complex.pdb | class_64 | 1 | G220 | Polar contact | Phosphate unit | 1 | V49 | Hydrophobic contact | Aromatic ring unit | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/09_class_visualization/figures/class_panels/PTP1B_class_28.svg | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/09_class_visualization/figures/class_panels/PTP1B_class_28.png | ok | 17 | 17 | 9 | 0 | 0 | All PLIP ligand endpoints are attached to their within-entity covalent topology. | ||
| class_29 | Class 29 | PTP1B_173 | PTP1B_173;PTP1B_283;PTP1B_299;PTP1B_304 | 4 | False | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/05_plip_interaction_graphs/plip_outputs/PTP1B_173 | step06_plip_folder | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/07_ged_classification/classes/class_76/PTP1B_173_final.txt | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/02_template_guided_docking/complexes/PTP1B_173_complex.pdb | class_65;class_76 | 1 | G220 | Polar contact | Phosphate unit | 0 | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/09_class_visualization/figures/class_panels/PTP1B_class_29.svg | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/09_class_visualization/figures/class_panels/PTP1B_class_29.png | ok | 17 | 17 | 8 | 0 | 0 | All PLIP ligand endpoints are attached to their within-entity covalent topology. | |||
| class_30 | Class 30 | PTP1B_1 | PTP1B_1;PTP1B_61 | 2 | False | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/05_plip_interaction_graphs/plip_outputs/PTP1B_1 | step06_plip_folder | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/07_ged_classification/classes/class_5/PTP1B_18_final.txt | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/02_template_guided_docking/complexes/PTP1B_1_complex.pdb | class_67 | 1 | G218 | Polar contact | Phosphate unit | 0 | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/09_class_visualization/figures/class_panels/PTP1B_class_30.svg | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/09_class_visualization/figures/class_panels/PTP1B_class_30.png | ok | 17 | 17 | 8 | 0 | 0 | All PLIP ligand endpoints are attached to their within-entity covalent topology. | |||
| class_31 | Class 31 | PTP1B_48 | PTP1B_48;PTP1B_113;PTP1B_128;PTP1B_170 | 4 | False | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/05_plip_interaction_graphs/plip_outputs/PTP1B_48 | step06_plip_folder | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/07_ged_classification/classes/class_70/PTP1B_48_final.txt | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/02_template_guided_docking/complexes/PTP1B_48_complex.pdb | class_70 | 1 | D48 | Polar contact | N1 site | 0 | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/09_class_visualization/figures/class_panels/PTP1B_class_31.svg | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/09_class_visualization/figures/class_panels/PTP1B_class_31.png | ok | 17 | 17 | 7 | 0 | 0 | All PLIP ligand endpoints are attached to their within-entity covalent topology. | |||
| class_32 | Class 32 | PTP1B_105 | PTP1B_105;PTP1B_235;PTP1B_280;PTP1B_302;PTP1B_319 | 5 | False | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/05_plip_interaction_graphs/plip_outputs/PTP1B_105 | step06_plip_folder | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/07_ged_classification/classes/class_73/PTP1B_105_final.txt | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/02_template_guided_docking/complexes/PTP1B_105_complex.pdb | class_73;class_93;class_95;class_97 | 1 | G220 | Polar contact | Phosphate unit | 0 | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/09_class_visualization/figures/class_panels/PTP1B_class_32.svg | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/09_class_visualization/figures/class_panels/PTP1B_class_32.png | ok | 17 | 17 | 9 | 0 | 0 | All PLIP ligand endpoints are attached to their within-entity covalent topology. | |||
| class_33 | Class 33 | PTP1B_84 | PTP1B_84;PTP1B_149;PTP1B_151 | 3 | False | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/05_plip_interaction_graphs/plip_outputs/PTP1B_84 | step06_plip_folder | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/07_ged_classification/classes/class_88/PTP1B_84_final.txt | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/02_template_guided_docking/complexes/PTP1B_84_complex.pdb | class_75;class_88;class_91 | 1 | D48 | Polar contact | N1 site | 0 | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/09_class_visualization/figures/class_panels/PTP1B_class_33.svg | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/09_class_visualization/figures/class_panels/PTP1B_class_33.png | ok | 17 | 17 | 7 | 0 | 0 | All PLIP ligand endpoints are attached to their within-entity covalent topology. | |||
| class_34 | Class 34 | PTP1B_220 | PTP1B_220;PTP1B_240 | 2 | False | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/05_plip_interaction_graphs/plip_outputs/PTP1B_220 | step06_plip_folder | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/07_ged_classification/classes/class_80/PTP1B_220_final.txt | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/02_template_guided_docking/complexes/PTP1B_220_complex.pdb | class_80 | 1 | D48 | Polar contact | N1 site | 1 | Q262 | Polar contact | N1 site | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/09_class_visualization/figures/class_panels/PTP1B_class_34.svg | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/09_class_visualization/figures/class_panels/PTP1B_class_34.png | ok | 17 | 17 | 7 | 0 | 0 | All PLIP ligand endpoints are attached to their within-entity covalent topology. | ||
| class_35 | Class 35 | PTP1B_221 | PTP1B_221;PTP1B_260;PTP1B_264;PTP1B_306 | 4 | False | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/05_plip_interaction_graphs/plip_outputs/PTP1B_221 | step06_plip_folder | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/07_ged_classification/classes/class_80/PTP1B_221_final.txt | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/02_template_guided_docking/complexes/PTP1B_221_complex.pdb | class_81;class_83;class_84 | 1 | G220 | Polar contact | Phosphate unit | 0 | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/09_class_visualization/figures/class_panels/PTP1B_class_35.svg | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/09_class_visualization/figures/class_panels/PTP1B_class_35.png | ok | 17 | 17 | 9 | 0 | 0 | All PLIP ligand endpoints are attached to their within-entity covalent topology. | |||
| class_36 | Class 36 | PTP1B_245 | PTP1B_245 | 1 | False | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/05_plip_interaction_graphs/plip_outputs/PTP1B_245 | step06_plip_folder | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/07_ged_classification/classes/class_82/PTP1B_245_final.txt | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/02_template_guided_docking/complexes/PTP1B_245_complex.pdb | class_82 | 1 | D48 | Polar contact | N1 site | 0 | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/09_class_visualization/figures/class_panels/PTP1B_class_36.svg | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/09_class_visualization/figures/class_panels/PTP1B_class_36.png | ok | 17 | 17 | 7 | 0 | 0 | All PLIP ligand endpoints are attached to their within-entity covalent topology. | |||
| class_37 | Class 37 | PTP1B_284 | PTP1B_284 | 1 | False | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/05_plip_interaction_graphs/plip_outputs/PTP1B_284 | step06_plip_folder | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/07_ged_classification/classes/class_85/PTP1B_284_final.txt | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/02_template_guided_docking/complexes/PTP1B_284_complex.pdb | class_85 | 1 | Y46 | Hydrophobic contact | Aromatic ring unit | 2 | Q262 | Polar contact | N1 site;Y46 | π contact | Aromatic ring unit | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/09_class_visualization/figures/class_panels/PTP1B_class_37.svg | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/09_class_visualization/figures/class_panels/PTP1B_class_37.png | ok | 17 | 17 | 7 | 0 | 0 | All PLIP ligand endpoints are attached to their within-entity covalent topology. | ||
| class_38 | Class 38 | PTP1B_119 | PTP1B_119;PTP1B_179;PTP1B_233 | 3 | False | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/05_plip_interaction_graphs/plip_outputs/PTP1B_119 | step06_plip_folder | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/07_ged_classification/classes/class_90/PTP1B_119_final.txt | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/02_template_guided_docking/complexes/PTP1B_119_complex.pdb | class_90;class_92 | 1 | D48 | Polar contact | N1 site | 0 | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/09_class_visualization/figures/class_panels/PTP1B_class_38.svg | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/09_class_visualization/figures/class_panels/PTP1B_class_38.png | ok | 17 | 17 | 7 | 0 | 0 | All PLIP ligand endpoints are attached to their within-entity covalent topology. | |||
| class_39 | Class 39 | PTP1B_256 | PTP1B_256 | 1 | False | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/05_plip_interaction_graphs/plip_outputs/PTP1B_256 | step06_plip_folder | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/07_ged_classification/classes/class_94/PTP1B_256_final.txt | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/02_template_guided_docking/complexes/PTP1B_256_complex.pdb | class_94 | 1 | D48 | Polar contact | N1 site | 1 | R47 | Polar contact | N1 site | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/09_class_visualization/figures/class_panels/PTP1B_class_39.svg | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/09_class_visualization/figures/class_panels/PTP1B_class_39.png | ok | 17 | 17 | 7 | 0 | 0 | All PLIP ligand endpoints are attached to their within-entity covalent topology. | ||
| class_40 | Class 40 | PTP1B_26 | PTP1B_26 | 1 | False | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/05_plip_interaction_graphs/plip_outputs/PTP1B_26 | step06_plip_folder | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/07_ged_classification/classes/class_98/PTP1B_26_final.txt | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/02_template_guided_docking/complexes/PTP1B_26_complex.pdb | class_98 | 2 | D48 | Polar contact | N1 site;Y46 | Hydrophobic contact | Aromatic ring unit | 0 | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/09_class_visualization/figures/class_panels/PTP1B_class_40.svg | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/09_class_visualization/figures/class_panels/PTP1B_class_40.png | ok | 17 | 17 | 5 | 0 | 0 | All PLIP ligand endpoints are attached to their within-entity covalent topology. | |||
| class_41 | Class 41 | PTP1B_165 | PTP1B_165;PTP1B_254 | 2 | False | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/05_plip_interaction_graphs/plip_outputs/PTP1B_165 | step06_plip_folder | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/07_ged_classification/classes/class_99/PTP1B_165_final.txt | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/02_template_guided_docking/complexes/PTP1B_165_complex.pdb | class_99 | 1 | D48 | Polar contact | N1 site | 0 | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/09_class_visualization/figures/class_panels/PTP1B_class_41.svg | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/09_class_visualization/figures/class_panels/PTP1B_class_41.png | ok | 17 | 17 | 6 | 0 | 0 | All PLIP ligand endpoints are attached to their within-entity covalent topology. | |||
| class_42 | Class 42 | PTP1B_257 | PTP1B_257 | 1 | False | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/05_plip_interaction_graphs/plip_outputs/PTP1B_257 | step06_plip_folder | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/07_ged_classification/classes/class_100/PTP1B_257_final.txt | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/02_template_guided_docking/complexes/PTP1B_257_complex.pdb | class_100 | 1 | Y46 | Hydrophobic contact | Aromatic ring unit | 0 | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/09_class_visualization/figures/class_panels/PTP1B_class_42.svg | /home/wms/AF2-test/AF2-CatGraph/results/PTP1B/09_class_visualization/figures/class_panels/PTP1B_class_42.png | ok | 17 | 17 | 6 | 0 | 0 | All PLIP ligand endpoints are attached to their within-entity covalent topology. |