{
  "description": "Two distinct frozen studies; computational feasibility only. Do not pool with the original cohort.",
  "ligand": {
    "manifest_sha256": "52c50a491463d6799ecf495c4cdd2002fff27328f0504e9c4fc9e9151afcfa75",
    "model": "boltz-2.1",
    "revision": "v2026-03-01",
    "selected": 16,
    "returned": 16,
    "scorable": 15,
    "recovered_at_or_below_2A": 6,
    "cases": [
      {
        "case_id": "lp-001-high-precedent",
        "pair_id": "lp-001",
        "precedent_arm": "high_precedent_global_ccd_proxy",
        "scorable": true,
        "symmetry_aware_rmsd_angstrom": 0.2320958123091508,
        "pose_recovery_at_2A": true,
        "reference_contact_count": 12,
        "predicted_contact_count": 12,
        "native_contact_recovery": 0.9166666666666666,
        "protein_alignment_ca_count": 108
      },
      {
        "case_id": "lp-001-low-precedent",
        "pair_id": "lp-001",
        "precedent_arm": "low_precedent_global_ccd_proxy",
        "scorable": true,
        "symmetry_aware_rmsd_angstrom": 0.8619685303990404,
        "pose_recovery_at_2A": true,
        "reference_contact_count": 11,
        "predicted_contact_count": 11,
        "native_contact_recovery": 0.9090909090909091,
        "protein_alignment_ca_count": 105
      },
      {
        "case_id": "lp-006-high-precedent",
        "pair_id": "lp-006",
        "precedent_arm": "high_precedent_global_ccd_proxy",
        "scorable": true,
        "symmetry_aware_rmsd_angstrom": 0.5790659166754835,
        "pose_recovery_at_2A": true,
        "reference_contact_count": 20,
        "predicted_contact_count": 22,
        "native_contact_recovery": 0.9,
        "protein_alignment_ca_count": 385
      },
      {
        "case_id": "lp-006-low-precedent",
        "pair_id": "lp-006",
        "precedent_arm": "low_precedent_global_ccd_proxy",
        "scorable": false,
        "failure_reason": "ManifestError: could not map ligand coordinates to SMILES: Explicit valence for atom # 13 C, 5, is greater than permitted",
        "pose_recovery_at_2A": false
      },
      {
        "case_id": "lp-007-high-precedent",
        "pair_id": "lp-007",
        "precedent_arm": "high_precedent_global_ccd_proxy",
        "scorable": true,
        "symmetry_aware_rmsd_angstrom": 12.944845683309298,
        "pose_recovery_at_2A": false,
        "reference_contact_count": 21,
        "predicted_contact_count": 21,
        "native_contact_recovery": 0.47619047619047616,
        "protein_alignment_ca_count": 384
      },
      {
        "case_id": "lp-007-low-precedent",
        "pair_id": "lp-007",
        "precedent_arm": "low_precedent_global_ccd_proxy",
        "scorable": true,
        "symmetry_aware_rmsd_angstrom": 12.384591532214788,
        "pose_recovery_at_2A": false,
        "reference_contact_count": 19,
        "predicted_contact_count": 17,
        "native_contact_recovery": 0.5263157894736842,
        "protein_alignment_ca_count": 384
      },
      {
        "case_id": "lp-008-high-precedent",
        "pair_id": "lp-008",
        "precedent_arm": "high_precedent_global_ccd_proxy",
        "scorable": true,
        "symmetry_aware_rmsd_angstrom": 3.978744389481441,
        "pose_recovery_at_2A": false,
        "reference_contact_count": 18,
        "predicted_contact_count": 21,
        "native_contact_recovery": 0.8888888888888888,
        "protein_alignment_ca_count": 341
      },
      {
        "case_id": "lp-008-low-precedent",
        "pair_id": "lp-008",
        "precedent_arm": "low_precedent_global_ccd_proxy",
        "scorable": true,
        "symmetry_aware_rmsd_angstrom": 3.166381462168247,
        "pose_recovery_at_2A": false,
        "reference_contact_count": 19,
        "predicted_contact_count": 18,
        "native_contact_recovery": 0.8421052631578947,
        "protein_alignment_ca_count": 338
      },
      {
        "case_id": "lp-011-high-precedent",
        "pair_id": "lp-011",
        "precedent_arm": "high_precedent_global_ccd_proxy",
        "scorable": true,
        "symmetry_aware_rmsd_angstrom": 7.219286564431992,
        "pose_recovery_at_2A": false,
        "reference_contact_count": 18,
        "predicted_contact_count": 18,
        "native_contact_recovery": 0.8888888888888888,
        "protein_alignment_ca_count": 351
      },
      {
        "case_id": "lp-011-low-precedent",
        "pair_id": "lp-011",
        "precedent_arm": "low_precedent_global_ccd_proxy",
        "scorable": true,
        "symmetry_aware_rmsd_angstrom": 6.311807459541005,
        "pose_recovery_at_2A": false,
        "reference_contact_count": 12,
        "predicted_contact_count": 19,
        "native_contact_recovery": 0.75,
        "protein_alignment_ca_count": 351
      },
      {
        "case_id": "lp-015-high-precedent",
        "pair_id": "lp-015",
        "precedent_arm": "high_precedent_global_ccd_proxy",
        "scorable": true,
        "symmetry_aware_rmsd_angstrom": 13.244117117329848,
        "pose_recovery_at_2A": false,
        "reference_contact_count": 16,
        "predicted_contact_count": 16,
        "native_contact_recovery": 0.125,
        "protein_alignment_ca_count": 319
      },
      {
        "case_id": "lp-015-low-precedent",
        "pair_id": "lp-015",
        "precedent_arm": "low_precedent_global_ccd_proxy",
        "scorable": true,
        "symmetry_aware_rmsd_angstrom": 14.17611665675532,
        "pose_recovery_at_2A": false,
        "reference_contact_count": 16,
        "predicted_contact_count": 13,
        "native_contact_recovery": 0.0625,
        "protein_alignment_ca_count": 329
      },
      {
        "case_id": "lp-017-high-precedent",
        "pair_id": "lp-017",
        "precedent_arm": "high_precedent_global_ccd_proxy",
        "scorable": true,
        "symmetry_aware_rmsd_angstrom": 0.4187747041836082,
        "pose_recovery_at_2A": true,
        "reference_contact_count": 17,
        "predicted_contact_count": 17,
        "native_contact_recovery": 0.9411764705882353,
        "protein_alignment_ca_count": 304
      },
      {
        "case_id": "lp-017-low-precedent",
        "pair_id": "lp-017",
        "precedent_arm": "low_precedent_global_ccd_proxy",
        "scorable": true,
        "symmetry_aware_rmsd_angstrom": 1.1904837916643733,
        "pose_recovery_at_2A": true,
        "reference_contact_count": 17,
        "predicted_contact_count": 15,
        "native_contact_recovery": 0.8823529411764706,
        "protein_alignment_ca_count": 304
      },
      {
        "case_id": "lp-019-high-precedent",
        "pair_id": "lp-019",
        "precedent_arm": "high_precedent_global_ccd_proxy",
        "scorable": true,
        "symmetry_aware_rmsd_angstrom": 2.3227044653222846,
        "pose_recovery_at_2A": false,
        "reference_contact_count": 20,
        "predicted_contact_count": 19,
        "native_contact_recovery": 0.85,
        "protein_alignment_ca_count": 142
      },
      {
        "case_id": "lp-019-low-precedent",
        "pair_id": "lp-019",
        "precedent_arm": "low_precedent_global_ccd_proxy",
        "scorable": true,
        "symmetry_aware_rmsd_angstrom": 0.88772349137424,
        "pose_recovery_at_2A": true,
        "reference_contact_count": 15,
        "predicted_contact_count": 22,
        "native_contact_recovery": 1.0,
        "protein_alignment_ca_count": 125
      }
    ]
  },
  "darpin": {
    "manifest_sha256": "f13caad124a45d53d622f0353761022ba166808797f5ca006d3304c69d2a8081",
    "pipeline_versions": [
      "1.0"
    ],
    "summary": {
      "targets": 5,
      "complete_targets": 5,
      "boltzppi": {
        "top1_targets": 2,
        "top3_targets": 2,
        "top5_targets": 2,
        "mean_reciprocal_rank": 0.4382604323780795
      },
      "iptm": {
        "top1_targets": 0,
        "top3_targets": 2,
        "top5_targets": 2,
        "mean_reciprocal_rank": 0.2011111111111111
      },
      "expansion_heuristic_met": false,
      "interpretation": "descriptive five-target feasibility only"
    },
    "candidate_scores": 100,
    "targets": [
      {
        "assembly_id": "9GNB-1",
        "target_description": "Tumor protein p73",
        "boltzppi": {
          "cognate_score": 0.2851589620113373,
          "rank": 1,
          "strict_top1": true,
          "top3": true,
          "top5": true,
          "reciprocal_rank": 1.0,
          "margin_over_best_control": 0.25845822133123875,
          "pairwise_win_fraction": 1.0,
          "highest_control_candidate_id": "darpin-5oov-1-cb7de289db",
          "highest_control_score": 0.026700740680098534
        },
        "iptm": {
          "cognate_score": 0.9315576553344727,
          "rank": 3,
          "strict_top1": false,
          "top3": true,
          "top5": true,
          "reciprocal_rank": 0.3333333333333333,
          "margin_over_best_control": -0.012504875659942627,
          "pairwise_win_fraction": 0.8947368421052632,
          "highest_control_candidate_id": "darpin-5ooy-1-f21758a453",
          "highest_control_score": 0.9440625309944153
        }
      },
      {
        "assembly_id": "9S60-1",
        "target_description": "Cathepsin B",
        "boltzppi": {
          "cognate_score": 5.82791699343943e-06,
          "rank": 13,
          "strict_top1": false,
          "top3": false,
          "top5": false,
          "reciprocal_rank": 0.07692307692307693,
          "margin_over_best_control": -0.00042569035713313497,
          "pairwise_win_fraction": 0.3684210526315789,
          "highest_control_candidate_id": "darpin-7z71-2-70329a3b3d",
          "highest_control_score": 0.0004315182741265744
        },
        "iptm": {
          "cognate_score": 0.191550612449646,
          "rank": 20,
          "strict_top1": false,
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          "top5": false,
          "reciprocal_rank": 0.05,
          "margin_over_best_control": -0.6227411031723022,
          "pairwise_win_fraction": 0.0,
          "highest_control_candidate_id": "darpin-7z71-2-70329a3b3d",
          "highest_control_score": 0.8142917156219482
        }
      },
      {
        "assembly_id": "9R8B-1",
        "target_description": "Serine/threonine-protein kinase PLK1",
        "boltzppi": {
          "cognate_score": 0.0007624276331625879,
          "rank": 17,
          "strict_top1": false,
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          "top5": false,
          "reciprocal_rank": 0.058823529411764705,
          "margin_over_best_control": -0.1260199896642007,
          "pairwise_win_fraction": 0.15789473684210525,
          "highest_control_candidate_id": "darpin-6mof-1-de99efe86b",
          "highest_control_score": 0.12678241729736328
        },
        "iptm": {
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          "strict_top1": false,
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          "top5": false,
          "reciprocal_rank": 0.06666666666666667,
          "margin_over_best_control": -0.3769244849681854,
          "pairwise_win_fraction": 0.2631578947368421,
          "highest_control_candidate_id": "darpin-5mbm-2-e99c9dd5a8",
          "highest_control_score": 0.8277233839035034
        }
      },
      {
        "assembly_id": "9GTK-1",
        "target_description": "Isoform 2B of GTPase KRas",
        "boltzppi": {
          "cognate_score": 0.09439259022474289,
          "rank": 1,
          "strict_top1": true,
          "top3": true,
          "top5": true,
          "reciprocal_rank": 1.0,
          "margin_over_best_control": 0.06391033343970776,
          "pairwise_win_fraction": 1.0,
          "highest_control_candidate_id": "darpin-5oov-1-cb7de289db",
          "highest_control_score": 0.030482256785035133
        },
        "iptm": {
          "cognate_score": 0.8332527875900269,
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          "strict_top1": false,
          "top3": true,
          "top5": true,
          "reciprocal_rank": 0.5,
          "margin_over_best_control": -0.026072382926940918,
          "pairwise_win_fraction": 0.9473684210526315,
          "highest_control_candidate_id": "darpin-5mbm-2-e99c9dd5a8",
          "highest_control_score": 0.8593251705169678
        }
      },
      {
        "assembly_id": "9F22-1",
        "target_description": "Green fluorescent protein",
        "boltzppi": {
          "cognate_score": 0.00035713231773115695,
          "rank": 18,
          "strict_top1": false,
          "top3": false,
          "top5": false,
          "reciprocal_rank": 0.05555555555555555,
          "margin_over_best_control": -0.13845326387672685,
          "pairwise_win_fraction": 0.10526315789473684,
          "highest_control_candidate_id": "darpin-7z72-2-6584bd65be",
          "highest_control_score": 0.138810396194458
        },
        "iptm": {
          "cognate_score": 0.29421740770339966,
          "rank": 18,
          "strict_top1": false,
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          "top5": false,
          "reciprocal_rank": 0.05555555555555555,
          "margin_over_best_control": -0.5913367867469788,
          "pairwise_win_fraction": 0.10526315789473684,
          "highest_control_candidate_id": "darpin-5ooy-1-f21758a453",
          "highest_control_score": 0.8855541944503784
        }
      }
    ]
  }
}