{"artifact_token":"2026_06_07__20__49___5b855774__A0201__LLYGFVNYV","runtime_seconds":689,"normalized_allele":"A0201","peptide_sequence":"LLYGFVNYV","final_pdb_path":"/home/alexandre202111286/py-docktope/results/2026_06_07__20__49___5b855774__A0201__LLYGFVNYV.pdb","summary_path":"/home/alexandre202111286/py-docktope/results/2026_06_07__20__49___5b855774__A0201__LLYGFVNYV___summary.txt","docking_engine":"gnina","pipeline_context":{"runtime_environment":"local","config":{"runtime_environment":"local","allele_input":"a0201","cpu_count":60,"epitope_fasta_path":"temp_workdir/peptide_LLYGFVNYV/EPITOPE.fasta","base_workdir":"temp_workdir/peptide_LLYGFVNYV","results_output_dir":"/home/alexandre202111286/py-docktope/results","docking_engine":"gnina"},"normalized_allele":"A0201","peptide_sequence":"LLYGFVNYV","paths":{"timestamp":"2026_06_07__20__49","peptide_name":"LLYGFVNYV","workdir":"temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49","results_dir":"/home/alexandre202111286/py-docktope/results"},"epitope_fasta_copy_path":"temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/EPITOPE.fasta","epitope_pattern_pdb_path":"temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/Epitope_pattern.pdb","stage3_em_result":{"workdir":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/stage3_em","topology_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/stage3_em/target_TOPOLOGY.top","run_input_tpr_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/stage3_em/targetmdrun_EM1.tpr","em_log_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/stage3_em/target_log_EM1.log","em_energy_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/stage3_em/energia_EM1.edr","em_output_pdb_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/stage3_em/EM-OUT_NW.pdb","labeled_output_pdb_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/stage3_em/peptide.pdb","metrics":{"converged_steps":227,"force_threshold":2000.0,"potential_energy_kj_mol":-292855.06,"maximum_force":1909.9657,"maximum_force_atom_index":12,"force_norm":64.552423}},"stage4_d1_prep_result":{"em_dir_path":"temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/EM","d1_dir_path":"temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1","peptide_pdb_path":"temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/peptide.pdb","peptide_pdbqt_path":"temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/peptide.pdbqt","donor_pdb_path":"temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/donor_HLA-A0201.pdb","donor_pdbqt_path":"temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/donor_HLA-A0201.pdbqt","vina_config_path":"temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/Vina_config"},"stage5_docking_result":{"d1_dir_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1","config_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/Vina_config","parallel_plan":{"vina_cpus":4,"parallel_jobs_per_batch":15,"total_jobs":20},"run_results":[{"run_index":1,"output_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/vina_out_1.pdbqt","log_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/log_1","top_affinity_kcal_mol":-13.51},{"run_index":2,"output_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/vina_out_2.pdbqt","log_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/log_2","top_affinity_kcal_mol":-13.65},{"run_index":3,"output_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/vina_out_3.pdbqt","log_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/log_3","top_affinity_kcal_mol":-13.68},{"run_index":4,"output_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/vina_out_4.pdbqt","log_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/log_4","top_affinity_kcal_mol":-13.6},{"run_index":5,"output_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/vina_out_5.pdbqt","log_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/log_5","top_affinity_kcal_mol":-9.81},{"run_index":6,"output_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/vina_out_6.pdbqt","log_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/log_6","top_affinity_kcal_mol":-10.26},{"run_index":7,"output_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/vina_out_7.pdbqt","log_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/log_7","top_affinity_kcal_mol":-13.55},{"run_index":8,"output_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/vina_out_8.pdbqt","log_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/log_8","top_affinity_kcal_mol":-13.6},{"run_index":9,"output_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/vina_out_9.pdbqt","log_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/log_9","top_affinity_kcal_mol":-13.57},{"run_index":10,"output_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/vina_out_10.pdbqt","log_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/log_10","top_affinity_kcal_mol":-13.72},{"run_index":11,"output_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/vina_out_11.pdbqt","log_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/log_11","top_affinity_kcal_mol":-13.47},{"run_index":12,"output_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/vina_out_12.pdbqt","log_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/log_12","top_affinity_kcal_mol":-13.58},{"run_index":13,"output_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/vina_out_13.pdbqt","log_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/log_13","top_affinity_kcal_mol":-13.55},{"run_index":14,"output_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/vina_out_14.pdbqt","log_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/log_14","top_affinity_kcal_mol":-13.67},{"run_index":15,"output_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/vina_out_15.pdbqt","log_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/log_15","top_affinity_kcal_mol":-13.6},{"run_index":16,"output_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/vina_out_16.pdbqt","log_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/log_16","top_affinity_kcal_mol":-13.47},{"run_index":17,"output_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/vina_out_17.pdbqt","log_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/log_17","top_affinity_kcal_mol":-13.51},{"run_index":18,"output_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/vina_out_18.pdbqt","log_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/log_18","top_affinity_kcal_mol":-10.09},{"run_index":19,"output_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/vina_out_19.pdbqt","log_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/log_19","top_affinity_kcal_mol":-13.62},{"run_index":20,"output_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/vina_out_20.pdbqt","log_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/log_20","top_affinity_kcal_mol":-13.68}],"affinities_report_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/affinities.txt","runtime_log_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/runtime.log"},"stage5_d2_docking_result":{"d1_dir_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2","config_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/Vina_config","parallel_plan":{"vina_cpus":4,"parallel_jobs_per_batch":15,"total_jobs":20},"run_results":[{"run_index":1,"output_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/vina_out_1.pdbqt","log_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/log_1","top_affinity_kcal_mol":-8.77},{"run_index":2,"output_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/vina_out_2.pdbqt","log_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/log_2","top_affinity_kcal_mol":-14.3},{"run_index":3,"output_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/vina_out_3.pdbqt","log_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/log_3","top_affinity_kcal_mol":-14.28},{"run_index":4,"output_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/vina_out_4.pdbqt","log_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/log_4","top_affinity_kcal_mol":-14.28},{"run_index":5,"output_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/vina_out_5.pdbqt","log_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/log_5","top_affinity_kcal_mol":-14.21},{"run_index":6,"output_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/vina_out_6.pdbqt","log_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/log_6","top_affinity_kcal_mol":-14.3},{"run_index":7,"output_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/vina_out_7.pdbqt","log_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/log_7","top_affinity_kcal_mol":-14.31},{"run_index":8,"output_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/vina_out_8.pdbqt","log_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/log_8","top_affinity_kcal_mol":-14.31},{"run_index":9,"output_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/vina_out_9.pdbqt","log_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/log_9","top_affinity_kcal_mol":-14.16},{"run_index":10,"output_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/vina_out_10.pdbqt","log_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/log_10","top_affinity_kcal_mol":-14.26},{"run_index":11,"output_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/vina_out_11.pdbqt","log_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/log_11","top_affinity_kcal_mol":-14.39},{"run_index":12,"output_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/vina_out_12.pdbqt","log_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/log_12","top_affinity_kcal_mol":-14.27},{"run_index":13,"output_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/vina_out_13.pdbqt","log_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/log_13","top_affinity_kcal_mol":-13.89},{"run_index":14,"output_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/vina_out_14.pdbqt","log_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/log_14","top_affinity_kcal_mol":-14.3},{"run_index":15,"output_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/vina_out_15.pdbqt","log_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/log_15","top_affinity_kcal_mol":-14.39},{"run_index":16,"output_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/vina_out_16.pdbqt","log_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/log_16","top_affinity_kcal_mol":-14.26},{"run_index":17,"output_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/vina_out_17.pdbqt","log_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/log_17","top_affinity_kcal_mol":-14.19},{"run_index":18,"output_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/vina_out_18.pdbqt","log_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/log_18","top_affinity_kcal_mol":-14.25},{"run_index":19,"output_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/vina_out_19.pdbqt","log_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/log_19","top_affinity_kcal_mol":-14.29},{"run_index":20,"output_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/vina_out_20.pdbqt","log_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/log_20","top_affinity_kcal_mol":-14.25}],"affinities_report_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/affinities.txt","runtime_log_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/runtime.log"},"stage6_selection_result":{"stage6_dir_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage6","mean_affinity_threshold":-13.0595,"best_pose_records":[{"run_index":1,"best_pose_index":1,"best_affinity_kcal_mol":-13.51,"selected_pose_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage6/selected_pdbqt/run_1_pose_1.pdbqt","selected_pose_pdb_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage6/selected_pdb/run_1_pose_1.pdb"},{"run_index":2,"best_pose_index":1,"best_affinity_kcal_mol":-13.65,"selected_pose_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage6/selected_pdbqt/run_2_pose_1.pdbqt","selected_pose_pdb_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage6/selected_pdb/run_2_pose_1.pdb"},{"run_index":3,"best_pose_index":1,"best_affinity_kcal_mol":-13.68,"selected_pose_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage6/selected_pdbqt/run_3_pose_1.pdbqt","selected_pose_pdb_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage6/selected_pdb/run_3_pose_1.pdb"},{"run_index":4,"best_pose_index":1,"best_affinity_kcal_mol":-13.6,"selected_pose_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage6/selected_pdbqt/run_4_pose_1.pdbqt","selected_pose_pdb_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage6/selected_pdb/run_4_pose_1.pdb"},{"run_index":5,"best_pose_index":1,"best_affinity_kcal_mol":-9.81,"selected_pose_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage6/selected_pdbqt/run_5_pose_1.pdbqt","selected_pose_pdb_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage6/selected_pdb/run_5_pose_1.pdb"},{"run_index":6,"best_pose_index":1,"best_affinity_kcal_mol":-10.26,"selected_pose_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage6/selected_pdbqt/run_6_pose_1.pdbqt","selected_pose_pdb_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage6/selected_pdb/run_6_pose_1.pdb"},{"run_index":7,"best_pose_index":1,"best_affinity_kcal_mol":-13.55,"selected_pose_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage6/selected_pdbqt/run_7_pose_1.pdbqt","selected_pose_pdb_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage6/selected_pdb/run_7_pose_1.pdb"},{"run_index":8,"best_pose_index":1,"best_affinity_kcal_mol":-13.6,"selected_pose_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage6/selected_pdbqt/run_8_pose_1.pdbqt","selected_pose_pdb_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage6/selected_pdb/run_8_pose_1.pdb"},{"run_index":9,"best_pose_index":1,"best_affinity_kcal_mol":-13.57,"selected_pose_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage6/selected_pdbqt/run_9_pose_1.pdbqt","selected_pose_pdb_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage6/selected_pdb/run_9_pose_1.pdb"},{"run_index":10,"best_pose_index":1,"best_affinity_kcal_mol":-13.72,"selected_pose_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage6/selected_pdbqt/run_10_pose_1.pdbqt","selected_pose_pdb_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage6/selected_pdb/run_10_pose_1.pdb"},{"run_index":11,"best_pose_index":1,"best_affinity_kcal_mol":-13.47,"selected_pose_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage6/selected_pdbqt/run_11_pose_1.pdbqt","selected_pose_pdb_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage6/selected_pdb/run_11_pose_1.pdb"},{"run_index":12,"best_pose_index":1,"best_affinity_kcal_mol":-13.58,"selected_pose_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage6/selected_pdbqt/run_12_pose_1.pdbqt","selected_pose_pdb_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage6/selected_pdb/run_12_pose_1.pdb"},{"run_index":13,"best_pose_index":1,"best_affinity_kcal_mol":-13.55,"selected_pose_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage6/selected_pdbqt/run_13_pose_1.pdbqt","selected_pose_pdb_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage6/selected_pdb/run_13_pose_1.pdb"},{"run_index":14,"best_pose_index":1,"best_affinity_kcal_mol":-13.67,"selected_pose_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage6/selected_pdbqt/run_14_pose_1.pdbqt","selected_pose_pdb_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage6/selected_pdb/run_14_pose_1.pdb"},{"run_index":15,"best_pose_index":1,"best_affinity_kcal_mol":-13.6,"selected_pose_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage6/selected_pdbqt/run_15_pose_1.pdbqt","selected_pose_pdb_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage6/selected_pdb/run_15_pose_1.pdb"},{"run_index":16,"best_pose_index":1,"best_affinity_kcal_mol":-13.47,"selected_pose_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage6/selected_pdbqt/run_16_pose_1.pdbqt","selected_pose_pdb_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage6/selected_pdb/run_16_pose_1.pdb"},{"run_index":17,"best_pose_index":1,"best_affinity_kcal_mol":-13.51,"selected_pose_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage6/selected_pdbqt/run_17_pose_1.pdbqt","selected_pose_pdb_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage6/selected_pdb/run_17_pose_1.pdb"},{"run_index":18,"best_pose_index":1,"best_affinity_kcal_mol":-10.09,"selected_pose_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage6/selected_pdbqt/run_18_pose_1.pdbqt","selected_pose_pdb_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage6/selected_pdb/run_18_pose_1.pdb"},{"run_index":19,"best_pose_index":1,"best_affinity_kcal_mol":-13.62,"selected_pose_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage6/selected_pdbqt/run_19_pose_1.pdbqt","selected_pose_pdb_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage6/selected_pdb/run_19_pose_1.pdb"},{"run_index":20,"best_pose_index":1,"best_affinity_kcal_mol":-13.68,"selected_pose_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage6/selected_pdbqt/run_20_pose_1.pdbqt","selected_pose_pdb_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage6/selected_pdb/run_20_pose_1.pdb"}],"filtered_pose_records":[{"run_index":1,"best_pose_index":1,"best_affinity_kcal_mol":-13.51,"selected_pose_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage6/selected_pdbqt/run_1_pose_1.pdbqt","selected_pose_pdb_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage6/selected_pdb/run_1_pose_1.pdb"},{"run_index":2,"best_pose_index":1,"best_affinity_kcal_mol":-13.65,"selected_pose_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage6/selected_pdbqt/run_2_pose_1.pdbqt","selected_pose_pdb_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage6/selected_pdb/run_2_pose_1.pdb"},{"run_index":3,"best_pose_index":1,"best_affinity_kcal_mol":-13.68,"selected_pose_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage6/selected_pdbqt/run_3_pose_1.pdbqt","selected_pose_pdb_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage6/selected_pdb/run_3_pose_1.pdb"},{"run_index":4,"best_pose_index":1,"best_affinity_kcal_mol":-13.6,"selected_pose_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage6/selected_pdbqt/run_4_pose_1.pdbqt","selected_pose_pdb_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage6/selected_pdb/run_4_pose_1.pdb"},{"run_index":7,"best_pose_index":1,"best_affinity_kcal_mol":-13.55,"selected_pose_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage6/selected_pdbqt/run_7_pose_1.pdbqt","selected_pose_pdb_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage6/selected_pdb/run_7_pose_1.pdb"},{"run_index":8,"best_pose_index":1,"best_affinity_kcal_mol":-13.6,"selected_pose_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage6/selected_pdbqt/run_8_pose_1.pdbqt","selected_pose_pdb_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage6/selected_pdb/run_8_pose_1.pdb"},{"run_index":9,"best_pose_index":1,"best_affinity_kcal_mol":-13.57,"selected_pose_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage6/selected_pdbqt/run_9_pose_1.pdbqt","selected_pose_pdb_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage6/selected_pdb/run_9_pose_1.pdb"},{"run_index":10,"best_pose_index":1,"best_affinity_kcal_mol":-13.72,"selected_pose_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage6/selected_pdbqt/run_10_pose_1.pdbqt","selected_pose_pdb_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage6/selected_pdb/run_10_pose_1.pdb"},{"run_index":11,"best_pose_index":1,"best_affinity_kcal_mol":-13.47,"selected_pose_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage6/selected_pdbqt/run_11_pose_1.pdbqt","selected_pose_pdb_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage6/selected_pdb/run_11_pose_1.pdb"},{"run_index":12,"best_pose_index":1,"best_affinity_kcal_mol":-13.58,"selected_pose_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage6/selected_pdbqt/run_12_pose_1.pdbqt","selected_pose_pdb_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage6/selected_pdb/run_12_pose_1.pdb"},{"run_index":13,"best_pose_index":1,"best_affinity_kcal_mol":-13.55,"selected_pose_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage6/selected_pdbqt/run_13_pose_1.pdbqt","selected_pose_pdb_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage6/selected_pdb/run_13_pose_1.pdb"},{"run_index":14,"best_pose_index":1,"best_affinity_kcal_mol":-13.67,"selected_pose_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage6/selected_pdbqt/run_14_pose_1.pdbqt","selected_pose_pdb_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage6/selected_pdb/run_14_pose_1.pdb"},{"run_index":15,"best_pose_index":1,"best_affinity_kcal_mol":-13.6,"selected_pose_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage6/selected_pdbqt/run_15_pose_1.pdbqt","selected_pose_pdb_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage6/selected_pdb/run_15_pose_1.pdb"},{"run_index":16,"best_pose_index":1,"best_affinity_kcal_mol":-13.47,"selected_pose_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage6/selected_pdbqt/run_16_pose_1.pdbqt","selected_pose_pdb_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage6/selected_pdb/run_16_pose_1.pdb"},{"run_index":17,"best_pose_index":1,"best_affinity_kcal_mol":-13.51,"selected_pose_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage6/selected_pdbqt/run_17_pose_1.pdbqt","selected_pose_pdb_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage6/selected_pdb/run_17_pose_1.pdb"},{"run_index":19,"best_pose_index":1,"best_affinity_kcal_mol":-13.62,"selected_pose_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage6/selected_pdbqt/run_19_pose_1.pdbqt","selected_pose_pdb_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage6/selected_pdb/run_19_pose_1.pdb"},{"run_index":20,"best_pose_index":1,"best_affinity_kcal_mol":-13.68,"selected_pose_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage6/selected_pdbqt/run_20_pose_1.pdbqt","selected_pose_pdb_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage6/selected_pdb/run_20_pose_1.pdb"}],"rmsd_means":[{"run_index":1,"mean_rmsd":0.0555325625},{"run_index":2,"mean_rmsd":0.054536279374999996},{"run_index":3,"mean_rmsd":0.045625925},{"run_index":4,"mean_rmsd":0.047026391875},{"run_index":7,"mean_rmsd":0.05691105625},{"run_index":8,"mean_rmsd":0.0666159125},{"run_index":9,"mean_rmsd":0.05944440625},{"run_index":10,"mean_rmsd":0.053991385625},{"run_index":11,"mean_rmsd":0.06569234374999999},{"run_index":12,"mean_rmsd":0.0482271},{"run_index":13,"mean_rmsd":0.05772146875},{"run_index":14,"mean_rmsd":0.045541165625},{"run_index":15,"mean_rmsd":0.053459004375},{"run_index":16,"mean_rmsd":0.055137531249999996},{"run_index":17,"mean_rmsd":0.053589341875},{"run_index":19,"mean_rmsd":0.070589},{"run_index":20,"mean_rmsd":0.045571393125}],"consensus_run_index":14,"consensus_ligand_pdb_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage6/selected_ligand.pdb"},"stage6_d2_selection_result":{"stage6_dir_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/stage6","mean_affinity_threshold":-13.983,"best_pose_records":[{"run_index":1,"best_pose_index":1,"best_affinity_kcal_mol":-8.77,"selected_pose_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/stage6/selected_pdbqt/run_1_pose_1.pdbqt","selected_pose_pdb_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/stage6/selected_pdb/run_1_pose_1.pdb"},{"run_index":2,"best_pose_index":1,"best_affinity_kcal_mol":-14.3,"selected_pose_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/stage6/selected_pdbqt/run_2_pose_1.pdbqt","selected_pose_pdb_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/stage6/selected_pdb/run_2_pose_1.pdb"},{"run_index":3,"best_pose_index":1,"best_affinity_kcal_mol":-14.28,"selected_pose_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/stage6/selected_pdbqt/run_3_pose_1.pdbqt","selected_pose_pdb_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/stage6/selected_pdb/run_3_pose_1.pdb"},{"run_index":4,"best_pose_index":1,"best_affinity_kcal_mol":-14.28,"selected_pose_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/stage6/selected_pdbqt/run_4_pose_1.pdbqt","selected_pose_pdb_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/stage6/selected_pdb/run_4_pose_1.pdb"},{"run_index":5,"best_pose_index":1,"best_affinity_kcal_mol":-14.21,"selected_pose_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/stage6/selected_pdbqt/run_5_pose_1.pdbqt","selected_pose_pdb_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/stage6/selected_pdb/run_5_pose_1.pdb"},{"run_index":6,"best_pose_index":1,"best_affinity_kcal_mol":-14.3,"selected_pose_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/stage6/selected_pdbqt/run_6_pose_1.pdbqt","selected_pose_pdb_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/stage6/selected_pdb/run_6_pose_1.pdb"},{"run_index":7,"best_pose_index":1,"best_affinity_kcal_mol":-14.31,"selected_pose_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/stage6/selected_pdbqt/run_7_pose_1.pdbqt","selected_pose_pdb_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/stage6/selected_pdb/run_7_pose_1.pdb"},{"run_index":8,"best_pose_index":1,"best_affinity_kcal_mol":-14.31,"selected_pose_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/stage6/selected_pdbqt/run_8_pose_1.pdbqt","selected_pose_pdb_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/stage6/selected_pdb/run_8_pose_1.pdb"},{"run_index":9,"best_pose_index":1,"best_affinity_kcal_mol":-14.16,"selected_pose_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/stage6/selected_pdbqt/run_9_pose_1.pdbqt","selected_pose_pdb_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/stage6/selected_pdb/run_9_pose_1.pdb"},{"run_index":10,"best_pose_index":1,"best_affinity_kcal_mol":-14.26,"selected_pose_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/stage6/selected_pdbqt/run_10_pose_1.pdbqt","selected_pose_pdb_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/stage6/selected_pdb/run_10_pose_1.pdb"},{"run_index":11,"best_pose_index":1,"best_affinity_kcal_mol":-14.39,"selected_pose_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/stage6/selected_pdbqt/run_11_pose_1.pdbqt","selected_pose_pdb_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/stage6/selected_pdb/run_11_pose_1.pdb"},{"run_index":12,"best_pose_index":1,"best_affinity_kcal_mol":-14.27,"selected_pose_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/stage6/selected_pdbqt/run_12_pose_1.pdbqt","selected_pose_pdb_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/stage6/selected_pdb/run_12_pose_1.pdb"},{"run_index":13,"best_pose_index":1,"best_affinity_kcal_mol":-13.89,"selected_pose_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/stage6/selected_pdbqt/run_13_pose_1.pdbqt","selected_pose_pdb_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/stage6/selected_pdb/run_13_pose_1.pdb"},{"run_index":14,"best_pose_index":1,"best_affinity_kcal_mol":-14.3,"selected_pose_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/stage6/selected_pdbqt/run_14_pose_1.pdbqt","selected_pose_pdb_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/stage6/selected_pdb/run_14_pose_1.pdb"},{"run_index":15,"best_pose_index":1,"best_affinity_kcal_mol":-14.39,"selected_pose_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/stage6/selected_pdbqt/run_15_pose_1.pdbqt","selected_pose_pdb_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/stage6/selected_pdb/run_15_pose_1.pdb"},{"run_index":16,"best_pose_index":1,"best_affinity_kcal_mol":-14.26,"selected_pose_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/stage6/selected_pdbqt/run_16_pose_1.pdbqt","selected_pose_pdb_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/stage6/selected_pdb/run_16_pose_1.pdb"},{"run_index":17,"best_pose_index":1,"best_affinity_kcal_mol":-14.19,"selected_pose_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/stage6/selected_pdbqt/run_17_pose_1.pdbqt","selected_pose_pdb_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/stage6/selected_pdb/run_17_pose_1.pdb"},{"run_index":18,"best_pose_index":1,"best_affinity_kcal_mol":-14.25,"selected_pose_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/stage6/selected_pdbqt/run_18_pose_1.pdbqt","selected_pose_pdb_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/stage6/selected_pdb/run_18_pose_1.pdb"},{"run_index":19,"best_pose_index":1,"best_affinity_kcal_mol":-14.29,"selected_pose_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/stage6/selected_pdbqt/run_19_pose_1.pdbqt","selected_pose_pdb_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/stage6/selected_pdb/run_19_pose_1.pdb"},{"run_index":20,"best_pose_index":1,"best_affinity_kcal_mol":-14.25,"selected_pose_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/stage6/selected_pdbqt/run_20_pose_1.pdbqt","selected_pose_pdb_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/stage6/selected_pdb/run_20_pose_1.pdb"}],"filtered_pose_records":[{"run_index":2,"best_pose_index":1,"best_affinity_kcal_mol":-14.3,"selected_pose_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/stage6/selected_pdbqt/run_2_pose_1.pdbqt","selected_pose_pdb_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/stage6/selected_pdb/run_2_pose_1.pdb"},{"run_index":3,"best_pose_index":1,"best_affinity_kcal_mol":-14.28,"selected_pose_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/stage6/selected_pdbqt/run_3_pose_1.pdbqt","selected_pose_pdb_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/stage6/selected_pdb/run_3_pose_1.pdb"},{"run_index":4,"best_pose_index":1,"best_affinity_kcal_mol":-14.28,"selected_pose_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/stage6/selected_pdbqt/run_4_pose_1.pdbqt","selected_pose_pdb_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/stage6/selected_pdb/run_4_pose_1.pdb"},{"run_index":5,"best_pose_index":1,"best_affinity_kcal_mol":-14.21,"selected_pose_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/stage6/selected_pdbqt/run_5_pose_1.pdbqt","selected_pose_pdb_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/stage6/selected_pdb/run_5_pose_1.pdb"},{"run_index":6,"best_pose_index":1,"best_affinity_kcal_mol":-14.3,"selected_pose_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/stage6/selected_pdbqt/run_6_pose_1.pdbqt","selected_pose_pdb_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/stage6/selected_pdb/run_6_pose_1.pdb"},{"run_index":7,"best_pose_index":1,"best_affinity_kcal_mol":-14.31,"selected_pose_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/stage6/selected_pdbqt/run_7_pose_1.pdbqt","selected_pose_pdb_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/stage6/selected_pdb/run_7_pose_1.pdb"},{"run_index":8,"best_pose_index":1,"best_affinity_kcal_mol":-14.31,"selected_pose_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/stage6/selected_pdbqt/run_8_pose_1.pdbqt","selected_pose_pdb_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/stage6/selected_pdb/run_8_pose_1.pdb"},{"run_index":9,"best_pose_index":1,"best_affinity_kcal_mol":-14.16,"selected_pose_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/stage6/selected_pdbqt/run_9_pose_1.pdbqt","selected_pose_pdb_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/stage6/selected_pdb/run_9_pose_1.pdb"},{"run_index":10,"best_pose_index":1,"best_affinity_kcal_mol":-14.26,"selected_pose_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/stage6/selected_pdbqt/run_10_pose_1.pdbqt","selected_pose_pdb_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/stage6/selected_pdb/run_10_pose_1.pdb"},{"run_index":11,"best_pose_index":1,"best_affinity_kcal_mol":-14.39,"selected_pose_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/stage6/selected_pdbqt/run_11_pose_1.pdbqt","selected_pose_pdb_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/stage6/selected_pdb/run_11_pose_1.pdb"},{"run_index":12,"best_pose_index":1,"best_affinity_kcal_mol":-14.27,"selected_pose_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/stage6/selected_pdbqt/run_12_pose_1.pdbqt","selected_pose_pdb_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/stage6/selected_pdb/run_12_pose_1.pdb"},{"run_index":14,"best_pose_index":1,"best_affinity_kcal_mol":-14.3,"selected_pose_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/stage6/selected_pdbqt/run_14_pose_1.pdbqt","selected_pose_pdb_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/stage6/selected_pdb/run_14_pose_1.pdb"},{"run_index":15,"best_pose_index":1,"best_affinity_kcal_mol":-14.39,"selected_pose_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/stage6/selected_pdbqt/run_15_pose_1.pdbqt","selected_pose_pdb_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/stage6/selected_pdb/run_15_pose_1.pdb"},{"run_index":16,"best_pose_index":1,"best_affinity_kcal_mol":-14.26,"selected_pose_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/stage6/selected_pdbqt/run_16_pose_1.pdbqt","selected_pose_pdb_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/stage6/selected_pdb/run_16_pose_1.pdb"},{"run_index":17,"best_pose_index":1,"best_affinity_kcal_mol":-14.19,"selected_pose_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/stage6/selected_pdbqt/run_17_pose_1.pdbqt","selected_pose_pdb_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/stage6/selected_pdb/run_17_pose_1.pdb"},{"run_index":18,"best_pose_index":1,"best_affinity_kcal_mol":-14.25,"selected_pose_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/stage6/selected_pdbqt/run_18_pose_1.pdbqt","selected_pose_pdb_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/stage6/selected_pdb/run_18_pose_1.pdb"},{"run_index":19,"best_pose_index":1,"best_affinity_kcal_mol":-14.29,"selected_pose_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/stage6/selected_pdbqt/run_19_pose_1.pdbqt","selected_pose_pdb_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/stage6/selected_pdb/run_19_pose_1.pdb"},{"run_index":20,"best_pose_index":1,"best_affinity_kcal_mol":-14.25,"selected_pose_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/stage6/selected_pdbqt/run_20_pose_1.pdbqt","selected_pose_pdb_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/stage6/selected_pdb/run_20_pose_1.pdb"}],"rmsd_means":[{"run_index":2,"mean_rmsd":0.02829999294117647},{"run_index":3,"mean_rmsd":0.024490483529411765},{"run_index":4,"mean_rmsd":0.028990621176470586},{"run_index":5,"mean_rmsd":0.02884964705882353},{"run_index":6,"mean_rmsd":0.02424954294117647},{"run_index":7,"mean_rmsd":0.027412936470588234},{"run_index":8,"mean_rmsd":0.02726963588235294},{"run_index":9,"mean_rmsd":0.027223642352941176},{"run_index":10,"mean_rmsd":0.029044648235294117},{"run_index":11,"mean_rmsd":0.02451096588235294},{"run_index":12,"mean_rmsd":0.026126723529411765},{"run_index":14,"mean_rmsd":0.024308108823529413},{"run_index":15,"mean_rmsd":0.03026641294117647},{"run_index":16,"mean_rmsd":0.02476538},{"run_index":17,"mean_rmsd":0.026265313529411766},{"run_index":18,"mean_rmsd":0.02551499058823529},{"run_index":19,"mean_rmsd":0.02564210882352941},{"run_index":20,"mean_rmsd":0.025615628235294115}],"consensus_run_index":6,"consensus_ligand_pdb_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/stage6/selected_ligand.pdb"},"stage7_result":{"stage7_dir_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage7","best_pmhc_d1_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage7/BEST_pMHC_D1.pdb","reference_pdb_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage7/MHC1_A0201_1T1Z.pdb","epitope_rmsd":0.711,"rms_threshold":1.98,"rms_log_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage7/RMSCheck.log"},"stage7_d2_result":{"stage7_dir_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/stage7","best_pmhc_d1_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/stage7/FINAL-A0201-pMHC.pdb","reference_pdb_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/stage7/MHC1_A0201_1T1Z.pdb","epitope_rmsd":0.754,"rms_threshold":1.98,"rms_log_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/stage7/RMSCheck.log"},"stage8_result":{"stage8_dir_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8","pmhc_em_dir_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/pMHC_EM","d2_dir_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2","em_result":{"workdir":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/pMHC_EM","topology_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/pMHC_EM/target_TOPOLOGY.top","run_input_tpr_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/pMHC_EM/targetmdrun_EM1.tpr","em_log_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/pMHC_EM/target_log_EM1.log","em_energy_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/pMHC_EM/energia_EM1.edr","em_output_pdb_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/pMHC_EM/EM-OUT_NW.pdb","labeled_output_pdb_path":null,"metrics":{"converged_steps":290,"force_threshold":2000.0,"potential_energy_kj_mol":-2019503.2,"maximum_force":1762.8959,"maximum_force_atom_index":2922,"force_norm":57.717679}},"epitope_4d2_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/ep_4D2.pdb","mhc_4d2_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/MHC_4D2.pdb","mhc_4d2_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/MHC_4D2.pdbqt","epitope_4d2_pdbqt_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/ep_4D2.pdbqt","vina_config_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/Vina_config"},"stage9_result":{"stage9_dir_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/stage9","final_complex_input_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/D1/stage8/A0201-D2/stage7/FINAL-A0201-pMHC.pdb","final_pdb_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/stage9/A0201-LLYGFVNYV_pMHC.pdb","summary_path":"/home/alexandre202111286/py-docktope/temp_workdir/peptide_LLYGFVNYV/temp/LLYGFVNYV_2026_06_07__20__49/stage9/summary.txt","results_final_pdb_path":"/home/alexandre202111286/py-docktope/results/2026_06_07__20__49___5b855774__A0201__LLYGFVNYV.pdb","results_summary_path":"/home/alexandre202111286/py-docktope/results/2026_06_07__20__49___5b855774__A0201__LLYGFVNYV___summary.txt","results_json_path":"/home/alexandre202111286/py-docktope/results/2026_06_07__20__49___5b855774__A0201__LLYGFVNYV.json","results_archive_path":"/home/alexandre202111286/py-docktope/results/DockTope_results.tar.gz","artifact_token":"2026_06_07__20__49___5b855774__A0201__LLYGFVNYV","peptide_sequence":"LLYGFVNYV","runtime_seconds":689},"dependencies":[{"executable_name":"gnina","executable_path":"/usr/local/bin/gnina"},{"executable_name":"gmx","executable_path":"/home/linuxbrew/.linuxbrew/bin/gmx"},{"executable_name":"pymol","executable_path":"/home/linuxbrew/.linuxbrew/bin/pymol"},{"executable_name":"python2","executable_path":"/home/alexandre202111286/.local/bin/python2"}]}}