{
  "Data": {
    "pdb_id": "5o9r",
    "coordinates_revision_date_pdb": null,
    "coordinates_revision_major_mmCIF": "2",
    "coordinates_revision_minor_mmCIF": "2",
    "coordinates_edited": false,
    "reflections_revision": "1_0",
    "reflections_edited": false,
    "pdb_redo_version": "8.13",
    "pdb_redo_used": true
  },
  "Ligand_validation_data": [
    {
      "asymID": "C",
      "compID": "9PK",
      "seqID": 0,
      "pdb": {
        "compID": "9PK",
        "insCode": "",
        "seqNum": 604,
        "strandID": "A"
      },
      "added": false,
      "all_atom_rmsd_in_A": 0.2529,
      "atoms_shifted_more_than_0.5A": 3,
      "original_model": {
        "density_fit": {
          "real_space_Rfactor": 0.113,
          "real_space_correlation": 0.847,
          "EDIAm_density_fit": 0.871,
          "OPIA_density_coverage": 82.609
        },
        "heat_of_formation": {
          "energy": -1634.985,
          "energy_unit": "kJ/mol"
        },
        "interactions": {
          "bumps_count": 7.0,
          "H_bonds_count": 3.0,
          "H_bonds_strength": -56.65,
          "H_bonds_unit": "kJ/mol",
          "hydrophobic_count": 19.0,
          "hydrophobic_strength": 13.832,
          "hydrophobic_unit": "knowledge_based_potential",
          "pi_pi_count": 1.0,
          "pi_pi_strength": 0.226,
          "pi_pi_unit": "knowledge_based_potential",
          "cation_pi_count": 0,
          "cation_pi_strength": null,
          "cation_pi_unit": "knowledge_based_potential"
        }
      },
      "pdb_redo_model": {
        "density_fit": {
          "real_space_Rfactor": 0.068,
          "real_space_correlation": 0.945,
          "EDIAm_density_fit": 0.569,
          "OPIA_density_coverage": 91.304
        },
        "heat_of_formation": {
          "energy": -1835.654,
          "energy_unit": "kJ/mol"
        },
        "interactions": {
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          "H_bonds_count": 4.0,
          "H_bonds_strength": -60.28,
          "H_bonds_unit": "kJ/mol",
          "hydrophobic_count": 21.0,
          "hydrophobic_strength": 16.526,
          "hydrophobic_unit": "knowledge_based_potential",
          "pi_pi_count": 1.0,
          "pi_pi_strength": 0.272,
          "pi_pi_unit": "knowledge_based_potential",
          "cation_pi_count": 0,
          "cation_pi_strength": null,
          "cation_pi_unit": "knowledge_based_potential"
        }
      }
    }
  ]
}