{ "summary": { "generated_at": "2026-05-14", "source": "pilot/data/test_set_v1_review.csv", "total_targets": 24, "by_length_bin": { "short": 6, "mid": 9, "long": 6, "hard": 3 }, "by_proposed_review_action": { "review_for_diversity": 6, "review_reference_type": 1, "review_context_dependency": 7, "candidate_ok_pending_biological_review": 8, "review_or_replace": 2 }, "by_triage_tier": { "human_review_diversity": 6, "human_review_reference_type": 1, "human_review_context_dependency": 7, "provisional_keep": 8, "replacement_recommended": 2 }, "by_context_flag": { "multi_protein_entry": 14, "antibody_context": 6, "nmr_reference": 1, "complex_or_fragment_context": 13, "nonprotein_context": 2, "membrane_or_transport_hint": 5, "none": 2, "low_resolution_reference": 2 }, "provisional_keep_targets": [ "13CZ:A", "13EE:A", "13FT:A", "9H8N:A", "9K9X:A", "9K9Y:A", "11BC:C", "12OY:A" ], "replacement_recommended_targets": [ "9H8O:A", "21VV:A" ] }, "interpretation": "This is computational triage for biological author review. It does not freeze the final target set.", "rows": [ { "target_label": "9O7G:B", "pdb_id": "9O7G", "chain_id": "B", "length_bin": "short", "length": "77", "release_date": "2026-05-13", "experimental_method": "ELECTRON MICROSCOPY", "resolution_angstrom": "3.1", "entity_id": "2", "entity_description": "E3 ubiquitin-protein ligase CHIP", "organism": "Homo sapiens", "expression_host": "Escherichia coli BL21(DE3)", "polymer_entity_count": "3", "protein_entity_count": "3", "selected_entity_fraction": "1/3", "aromatic_fraction": "0.0779", "gly_pro_fraction": "0.1299", "charged_fraction": "0.3117", "cysteine_count": "2", "sequence_complexity": "1", "context_flags": "multi_protein_entry; antibody_context", "review_status": "needs_biological_review", "proposed_review_action": "review_for_diversity", "reviewer_notes": "", "title": "CHIP E3 ligase U-box-Fab H1 epitope focused refinement", "triage_tier": "human_review_diversity", "freeze_recommendation": "keep_only_if_diversity_balance_is_intentional", "reason": "Antibody/Fab-heavy or repeated context may overweight one biological class." }, { "target_label": "9O7I:A", "pdb_id": "9O7I", "chain_id": "A", "length_bin": "short", "length": "72", "release_date": "2026-05-13", "experimental_method": "ELECTRON MICROSCOPY", "resolution_angstrom": "3.4", "entity_id": "1", "entity_description": "E3 ubiquitin-protein ligase CHIP", "organism": "Homo sapiens", "expression_host": "Escherichia coli BL21(DE3)", "polymer_entity_count": "3", "protein_entity_count": "3", "selected_entity_fraction": "1/3", "aromatic_fraction": "0.0417", "gly_pro_fraction": "0.0139", "charged_fraction": "0.4861", "cysteine_count": "2", "sequence_complexity": "0.85", "context_flags": "multi_protein_entry; antibody_context", "review_status": "needs_biological_review", "proposed_review_action": "review_for_diversity", "reviewer_notes": "", "title": "CHIP E3 ligase CC domain dimer-Fab 2D2 epitope focused refinement", "triage_tier": "human_review_diversity", "freeze_recommendation": "keep_only_if_diversity_balance_is_intentional", "reason": "Antibody/Fab-heavy or repeated context may overweight one biological class." }, { "target_label": "9PFE:A", "pdb_id": "9PFE", "chain_id": "A", "length_bin": "short", "length": "45", "release_date": "2026-05-13", "experimental_method": "SOLUTION NMR", "resolution_angstrom": "", "entity_id": "1", "entity_description": "Isoform 4 of Myosin-binding protein C, slow-type", "organism": "Homo sapiens", "expression_host": "Escherichia coli", "polymer_entity_count": "1", "protein_entity_count": "1", "selected_entity_fraction": "1/1", "aromatic_fraction": "0.0889", "gly_pro_fraction": "0.0889", "charged_fraction": "0.4", "cysteine_count": "0", "sequence_complexity": "0.9", "context_flags": "nmr_reference", "review_status": "needs_biological_review", "proposed_review_action": "review_reference_type", "reviewer_notes": "", "title": "NMR structure of slow skeletal Myosin Binding Protein-C M-domain tri-helix bundle", "triage_tier": "human_review_reference_type", "freeze_recommendation": "keep_only_if_reference_type_is_acceptable", "reason": "Reference type needs explicit author approval before freeze." }, { "target_label": "9ST4:H", "pdb_id": "9ST4", "chain_id": "H", "length_bin": "short", "length": "50", "release_date": "2026-05-13", "experimental_method": "X-RAY DIFFRACTION", "resolution_angstrom": "3.08", "entity_id": "2", "entity_description": "IglG", "organism": "Francisella tularensis subsp. novicida", "expression_host": "Escherichia coli", "polymer_entity_count": "2", "protein_entity_count": "2", "selected_entity_fraction": "1/2", "aromatic_fraction": "0", "gly_pro_fraction": "0", "charged_fraction": "0.26", "cysteine_count": "0", "sequence_complexity": "0.7", "context_flags": "multi_protein_entry; complex_or_fragment_context", "review_status": "needs_biological_review", "proposed_review_action": "review_context_dependency", "reviewer_notes": "", "title": "Structure of IglF:IglGN complex", "triage_tier": "human_review_context_dependency", "freeze_recommendation": "keep_only_if_single_chain_scoring_is_interpretable", "reason": "Complex-derived or fragment context may make single-chain scoring hard to interpret." }, { "target_label": "9ST8:B", "pdb_id": "9ST8", "chain_id": "B", "length_bin": "short", "length": "56", "release_date": "2026-05-13", "experimental_method": "X-RAY DIFFRACTION", "resolution_angstrom": "3.3", "entity_id": "2", "entity_description": "IglC N-terminal domain", "organism": "Francisella tularensis subsp. novicida", "expression_host": "Escherichia coli", "polymer_entity_count": "2", "protein_entity_count": "2", "selected_entity_fraction": "1/2", "aromatic_fraction": "0", "gly_pro_fraction": "0", "charged_fraction": "0.2321", "cysteine_count": "0", "sequence_complexity": "0.7", "context_flags": "multi_protein_entry; complex_or_fragment_context", "review_status": "needs_biological_review", "proposed_review_action": "review_context_dependency", "reviewer_notes": "", "title": "Structure of IglFC:IglGN complex", "triage_tier": "human_review_context_dependency", "freeze_recommendation": "keep_only_if_single_chain_scoring_is_interpretable", "reason": "Complex-derived or fragment context may make single-chain scoring hard to interpret." }, { "target_label": "9TEZ:3", "pdb_id": "9TEZ", "chain_id": "3", "length_bin": "short", "length": "38", "release_date": "2026-05-13", "experimental_method": "ELECTRON MICROSCOPY", "resolution_angstrom": "2.88", "entity_id": "1", "entity_description": "Large ribosomal subunit protein bL36A", "organism": "Escherichia coli BW25113", "expression_host": "", "polymer_entity_count": "34", "protein_entity_count": "31", "selected_entity_fraction": "1/31", "aromatic_fraction": "0", "gly_pro_fraction": "0.0789", "charged_fraction": "0.3947", "cysteine_count": "3", "sequence_complexity": "0.8", "context_flags": "multi_protein_entry; nonprotein_context; complex_or_fragment_context", "review_status": "needs_biological_review", "proposed_review_action": "review_context_dependency", "reviewer_notes": "", "title": "DalDroS bound to the Escherichia coli 50S ribosomal subunit", "triage_tier": "human_review_context_dependency", "freeze_recommendation": "keep_only_if_single_chain_scoring_is_interpretable", "reason": "Complex-derived or fragment context may make single-chain scoring hard to interpret." }, { "target_label": "11BD:A", "pdb_id": "11BD", "chain_id": "A", "length_bin": "mid", "length": "296", "release_date": "2026-05-13", "experimental_method": "X-RAY DIFFRACTION", "resolution_angstrom": "3.2", "entity_id": "1", "entity_description": "Nucleosome assembly protein 1-like 1", "organism": "Homo sapiens", "expression_host": "Escherichia coli", "polymer_entity_count": "1", "protein_entity_count": "1", "selected_entity_fraction": "1/1", "aromatic_fraction": "0.1014", "gly_pro_fraction": "0.1014", "charged_fraction": "0.3784", "cysteine_count": "4", "sequence_complexity": "1", "context_flags": "complex_or_fragment_context", "review_status": "needs_biological_review", "proposed_review_action": "review_context_dependency", "reviewer_notes": "", "title": "human nucleosome assembly protein 1 (human Nap1)", "triage_tier": "human_review_context_dependency", "freeze_recommendation": "keep_only_if_single_chain_scoring_is_interpretable", "reason": "Complex-derived or fragment context may make single-chain scoring hard to interpret." }, { "target_label": "11HK:B", "pdb_id": "11HK", "chain_id": "B", "length_bin": "mid", "length": "226", "release_date": "2026-05-13", "experimental_method": "ELECTRON MICROSCOPY", "resolution_angstrom": "2.7", "entity_id": "2", "entity_description": "Heavy chain of VN01H1 Fab", "organism": "Homo sapiens", "expression_host": "Homo sapiens", "polymer_entity_count": "3", "protein_entity_count": "3", "selected_entity_fraction": "1/3", "aromatic_fraction": "0.1018", "gly_pro_fraction": "0.1504", "charged_fraction": "0.1637", "cysteine_count": "5", "sequence_complexity": "1", "context_flags": "multi_protein_entry; antibody_context; complex_or_fragment_context", "review_status": "needs_biological_review", "proposed_review_action": "review_for_diversity", "reviewer_notes": "", "title": "SARS-CoV-2 spike S2 trimer stabilized in the early fusion intermediate conformation (E-FICs-v3) bound to the VN01H1 Fab (Fab local refinement)", "triage_tier": "human_review_diversity", "freeze_recommendation": "keep_only_if_diversity_balance_is_intentional", "reason": "Antibody/Fab-heavy or repeated context may overweight one biological class." }, { "target_label": "11HW:C", "pdb_id": "11HW", "chain_id": "C", "length_bin": "mid", "length": "225", "release_date": "2026-05-13", "experimental_method": "ELECTRON MICROSCOPY", "resolution_angstrom": "2.8", "entity_id": "2", "entity_description": "Heavy chain Fab C77G12", "organism": "Homo sapiens", "expression_host": "Homo sapiens", "polymer_entity_count": "3", "protein_entity_count": "3", "selected_entity_fraction": "1/3", "aromatic_fraction": "0.0933", "gly_pro_fraction": "0.1556", "charged_fraction": "0.1822", "cysteine_count": "5", "sequence_complexity": "1", "context_flags": "multi_protein_entry; antibody_context; complex_or_fragment_context", "review_status": "needs_biological_review", "proposed_review_action": "review_for_diversity", "reviewer_notes": "", "title": "SARS-CoV-2 spike S2 trimer stabilized in the early fusion intermediate conformation (E-FICs-v3) bound to C77G12 (Fab local refinement)", "triage_tier": "human_review_diversity", "freeze_recommendation": "keep_only_if_diversity_balance_is_intentional", "reason": "Antibody/Fab-heavy or repeated context may overweight one biological class." }, { "target_label": "11KR:J", "pdb_id": "11KR", "chain_id": "J", "length_bin": "mid", "length": "232", "release_date": "2026-05-13", "experimental_method": "X-RAY DIFFRACTION", "resolution_angstrom": "2.48", "entity_id": "1", "entity_description": "FabG1 heavy chain", "organism": "Mus musculus", "expression_host": "Homo sapiens", "polymer_entity_count": "2", "protein_entity_count": "2", "selected_entity_fraction": "1/2", "aromatic_fraction": "0.0905", "gly_pro_fraction": "0.1422", "charged_fraction": "0.1897", "cysteine_count": "5", "sequence_complexity": "1", "context_flags": "multi_protein_entry; antibody_context", "review_status": "needs_biological_review", "proposed_review_action": "review_for_diversity", "reviewer_notes": "", "title": "FabG1 targeting prion oligomers and fibrils", "triage_tier": "human_review_diversity", "freeze_recommendation": "keep_only_if_diversity_balance_is_intentional", "reason": "Antibody/Fab-heavy or repeated context may overweight one biological class." }, { "target_label": "11ZV:A", "pdb_id": "11ZV", "chain_id": "A", "length_bin": "mid", "length": "175", "release_date": "2026-05-13", "experimental_method": "ELECTRON MICROSCOPY", "resolution_angstrom": "2.84", "entity_id": "1", "entity_description": "PDCoV IL121_2014 receptor binding domain", "organism": "Porcine deltacoronavirus", "expression_host": "Homo sapiens", "polymer_entity_count": "2", "protein_entity_count": "2", "selected_entity_fraction": "1/2", "aromatic_fraction": "0.08", "gly_pro_fraction": "0.12", "charged_fraction": "0.2", "cysteine_count": "7", "sequence_complexity": "1", "context_flags": "multi_protein_entry; antibody_context; complex_or_fragment_context", "review_status": "needs_biological_review", "proposed_review_action": "review_for_diversity", "reviewer_notes": "", "title": "Structure of the Porcine deltacoronavirus (PDCoV) receptor-binding domain bound to the RBD minibinder 11, the PD3 Fab, and the Kappa light chain nanobody (local refinement)", "triage_tier": "human_review_diversity", "freeze_recommendation": "keep_only_if_diversity_balance_is_intentional", "reason": "Antibody/Fab-heavy or repeated context may overweight one biological class." }, { "target_label": "13CZ:A", "pdb_id": "13CZ", "chain_id": "A", "length_bin": "mid", "length": "161", "release_date": "2026-05-13", "experimental_method": "X-RAY DIFFRACTION", "resolution_angstrom": "2.136", "entity_id": "1", "entity_description": "Inner membrane lipoprotein DcrB", "organism": "Salmonella enterica subsp. enterica serovar Typhimurium", "expression_host": "Escherichia coli BL21(DE3)", "polymer_entity_count": "1", "protein_entity_count": "1", "selected_entity_fraction": "1/1", "aromatic_fraction": "0.0311", "gly_pro_fraction": "0.1056", "charged_fraction": "0.1925", "cysteine_count": "0", "sequence_complexity": "0.95", "context_flags": "membrane_or_transport_hint", "review_status": "needs_biological_review", "proposed_review_action": "candidate_ok_pending_biological_review", "reviewer_notes": "", "title": "Crystal structure of DcrB from Salmonella enterica at pH 5.0", "triage_tier": "provisional_keep", "freeze_recommendation": "keep_if_biological_reviewer_agrees", "reason": "Technically clean enough for the draft manifest; still needs author approval." }, { "target_label": "13EE:A", "pdb_id": "13EE", "chain_id": "A", "length_bin": "mid", "length": "161", "release_date": "2026-05-13", "experimental_method": "X-RAY DIFFRACTION", "resolution_angstrom": "1.729", "entity_id": "1", "entity_description": "Inner membrane lipoprotein DcrB", "organism": "Salmonella enterica subsp. enterica serovar Typhimurium", "expression_host": "Escherichia coli BL21(DE3)", "polymer_entity_count": "1", "protein_entity_count": "1", "selected_entity_fraction": "1/1", "aromatic_fraction": "0.0311", "gly_pro_fraction": "0.1056", "charged_fraction": "0.1925", "cysteine_count": "0", "sequence_complexity": "0.95", "context_flags": "membrane_or_transport_hint", "review_status": "needs_biological_review", "proposed_review_action": "candidate_ok_pending_biological_review", "reviewer_notes": "", "title": "Crystal structure of DcrB from Salmonella enterica at pH 4.0", "triage_tier": "provisional_keep", "freeze_recommendation": "keep_if_biological_reviewer_agrees", "reason": "Technically clean enough for the draft manifest; still needs author approval." }, { "target_label": "13FR:A", "pdb_id": "13FR", "chain_id": "A", "length_bin": "mid", "length": "228", "release_date": "2026-05-13", "experimental_method": "X-RAY DIFFRACTION", "resolution_angstrom": "2.09", "entity_id": "1", "entity_description": "START domain-containing protein", "organism": "Caenorhabditis elegans", "expression_host": "Escherichia coli BL21(DE3)", "polymer_entity_count": "1", "protein_entity_count": "1", "selected_entity_fraction": "1/1", "aromatic_fraction": "0.1096", "gly_pro_fraction": "0.1096", "charged_fraction": "0.2807", "cysteine_count": "3", "sequence_complexity": "1", "context_flags": "complex_or_fragment_context", "review_status": "needs_biological_review", "proposed_review_action": "review_context_dependency", "reviewer_notes": "", "title": "Cholesterol complex of the START domain of Caenorhabditis elegans StAR-related lipid transfer protein 3 (STARD3)", "triage_tier": "human_review_context_dependency", "freeze_recommendation": "keep_only_if_single_chain_scoring_is_interpretable", "reason": "Complex-derived or fragment context may make single-chain scoring hard to interpret." }, { "target_label": "13FT:A", "pdb_id": "13FT", "chain_id": "A", "length_bin": "mid", "length": "228", "release_date": "2026-05-13", "experimental_method": "X-RAY DIFFRACTION", "resolution_angstrom": "2.01", "entity_id": "1", "entity_description": "START domain-containing protein", "organism": "Caenorhabditis elegans", "expression_host": "Escherichia coli BL21(DE3)", "polymer_entity_count": "1", "protein_entity_count": "1", "selected_entity_fraction": "1/1", "aromatic_fraction": "0.1096", "gly_pro_fraction": "0.1096", "charged_fraction": "0.2807", "cysteine_count": "3", "sequence_complexity": "1", "context_flags": "none", "review_status": "needs_biological_review", "proposed_review_action": "candidate_ok_pending_biological_review", "reviewer_notes": "", "title": "START domain of Caenorhabditis elegans StAR-related lipid transfer protein 3 (STARD3)", "triage_tier": "provisional_keep", "freeze_recommendation": "keep_if_biological_reviewer_agrees", "reason": "Technically clean enough for the draft manifest; still needs author approval." }, { "target_label": "13BB:A", "pdb_id": "13BB", "chain_id": "A", "length_bin": "long", "length": "558", "release_date": "2026-05-13", "experimental_method": "X-RAY DIFFRACTION", "resolution_angstrom": "1.87", "entity_id": "1", "entity_description": "acetolactate synthase", "organism": "Mycobacterium gordonae", "expression_host": "Escherichia coli BL21(DE3)", "polymer_entity_count": "1", "protein_entity_count": "1", "selected_entity_fraction": "1/1", "aromatic_fraction": "0.0538", "gly_pro_fraction": "0.1362", "charged_fraction": "0.2294", "cysteine_count": "4", "sequence_complexity": "1", "context_flags": "complex_or_fragment_context", "review_status": "needs_biological_review", "proposed_review_action": "review_context_dependency", "reviewer_notes": "", "title": "Acetolactate synthase large subunit from Mycobacterium gordonae in complex with ThDP", "triage_tier": "human_review_context_dependency", "freeze_recommendation": "keep_only_if_single_chain_scoring_is_interpretable", "reason": "Complex-derived or fragment context may make single-chain scoring hard to interpret." }, { "target_label": "23FC:C", "pdb_id": "23FC", "chain_id": "C", "length_bin": "long", "length": "791", "release_date": "2026-05-13", "experimental_method": "ELECTRON MICROSCOPY", "resolution_angstrom": "2.7", "entity_id": "2", "entity_description": "ATR-interacting protein", "organism": "Homo sapiens", "expression_host": "Homo sapiens", "polymer_entity_count": "3", "protein_entity_count": "3", "selected_entity_fraction": "1/3", "aromatic_fraction": "0.043", "gly_pro_fraction": "0.1353", "charged_fraction": "0.2491", "cysteine_count": "23", "sequence_complexity": "1", "context_flags": "multi_protein_entry; 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