{
  "schema_version": "0.3",
  "decisions": {
    "stage15_cofactor": {
      "action": "remove_all",
      "kept": [],
      "removed": [
        "COH",
        "COH",
        "NAG",
        "NAG",
        "NAG",
        "MAN",
        "NAG",
        "NAG",
        "NAG",
        "NAG",
        "MAN",
        "NAG",
        "NAG"
      ],
      "detected": [
        {
          "resname": "COH",
          "chain": "A",
          "resseq": 602,
          "kind": "het"
        },
        {
          "resname": "COH",
          "chain": "B",
          "resseq": 602,
          "kind": "het"
        },
        {
          "resname": "NAG",
          "chain": "B",
          "resseq": 603,
          "kind": "het"
        },
        {
          "resname": "NAG",
          "chain": "C",
          "resseq": 1,
          "kind": "het"
        },
        {
          "resname": "NAG",
          "chain": "C",
          "resseq": 2,
          "kind": "het"
        },
        {
          "resname": "MAN",
          "chain": "C",
          "resseq": 3,
          "kind": "het"
        },
        {
          "resname": "NAG",
          "chain": "D",
          "resseq": 1,
          "kind": "het"
        },
        {
          "resname": "NAG",
          "chain": "D",
          "resseq": 2,
          "kind": "het"
        },
        {
          "resname": "NAG",
          "chain": "E",
          "resseq": 1,
          "kind": "het"
        },
        {
          "resname": "NAG",
          "chain": "E",
          "resseq": 2,
          "kind": "het"
        },
        {
          "resname": "MAN",
          "chain": "E",
          "resseq": 3,
          "kind": "het"
        },
        {
          "resname": "NAG",
          "chain": "F",
          "resseq": 1,
          "kind": "het"
        },
        {
          "resname": "NAG",
          "chain": "F",
          "resseq": 2,
          "kind": "het"
        }
      ],
      "index_flagged": [],
      "status": "MANUAL"
    },
    "stage16_propka": {
      "status": "SKIPPED",
      "flag": "PROPKA_SKIPPED",
      "note": "快速版占位。正式版需 PROPKA/PDB2PQR 並重跑。"
    },
    "stage17_override": {
      "rules": {},
      "family": "cyclooxygenase",
      "status": "AUTO"
    },
    "stage18_saltbridge": {
      "status": "SKIPPED",
      "flag": "SALT_BRIDGE_SKIPPED",
      "note": "快速版占位。正式版需 PROPKA 完成後再分析。"
    }
  },
  "flags": [
    "PROPKA_SKIPPED",
    "SALT_BRIDGE_SKIPPED",
    "STAGE15_MANUAL_COFACTOR"
  ],
  "target": "COX2",
  "pdb_id": "5IKT",
  "cocrystal_het": "TLF",
  "engines": {
    "engine_b": {
      "status": "complete",
      "completed_at": "2026-04-06T19:00:36.943598",
      "stages": [
        "15",
        "16",
        "17",
        "18"
      ]
    }
  },
  "ready_for_engine_e": true,
  "_timestamp": "2026-04-06T19:00:36.943598"
}