{
  "report_format_version": "pepfold-report-v1",
  "generated_at": "2026-06-19T00:42:31.299Z",
  "specimen": {
    "number": 31,
    "sequence": "GIGKFLHSAKKFGKAFVGEIMNS",
    "sequence_length": 23,
    "status": "complete",
    "wallet": "42hiyKWFgWHLgUygEcby82KKfvmRhmieAgmEjicNPpDZ",
    "amount_sol": 0,
    "tx_hash": "4fX54r9HbpnMovsBN7TvYA5EeYhNAnQnSrB1DVZwCG23xN5u2W59ikQ8Jzsof1UXDYRQGpqVHvHz88e58Z5t8taK",
    "created_at": "2026-06-16T04:01:04.920053+00:00",
    "completed_at": "2026-06-16T04:10:44.267672+00:00"
  },
  "structure": {
    "pdb_url": "https://mrzziawbddodlpywncfy.supabase.co/storage/v1/object/public/pdb-files/a47be43a-6fbe-4961-a177-b52138c1c9cf.pdb",
    "helix_pct": 0,
    "sheet_pct": 0,
    "loop_pct": 100
  },
  "triage": {
    "models": {
      "fold_model": {
        "name": "ESMFold",
        "version": "esmatlas-esmfold-v1"
      },
      "triage_model": {
        "name": "PEPFOLD heuristic triage",
        "version": "pepfold-triage-v1"
      },
      "comment_model": {
        "name": "Claude",
        "version": "claude-opus-4-7"
      }
    },
    "run_id": "run_e394ef58979446f494498d6904ead024",
    "metrics": [
      {
        "id": "fold_confidence",
        "label": "fold confidence",
        "value": 0.919,
        "source": {
          "model": "ESMFold",
          "version": "esmatlas-esmfold-v1"
        },
        "confidence": 0.52,
        "evidence_note": "derived from mean pLDDT on CA atoms",
        "confidence_band": [
          0.799,
          1
        ],
        "not_enough_confidence": true
      },
      {
        "id": "disorder_estimate",
        "label": "disorder estimate",
        "value": 0,
        "source": {
          "model": "PEPFOLD structure heuristic",
          "version": "pepfold-triage-v1"
        },
        "confidence": 0.52,
        "evidence_note": "estimated from loop proportion and low-confidence structure regions",
        "confidence_band": [
          0,
          0.12
        ],
        "not_enough_confidence": true
      },
      {
        "id": "aggregation_risk",
        "label": "aggregation risk",
        "value": 0.27,
        "source": {
          "model": "PEPFOLD developability heuristic",
          "version": "pepfold-triage-v1"
        },
        "confidence": 0.56,
        "evidence_note": "hydrophobic burden, aromatic burden, charge, and long hydrophobic runs",
        "confidence_band": [
          0.16,
          0.38
        ],
        "not_enough_confidence": false
      },
      {
        "id": "hydrophobic_burden",
        "label": "hydrophobic burden",
        "value": 0.435,
        "source": {
          "model": "PEPFOLD sequence analyzer",
          "version": "pepfold-triage-v1"
        },
        "confidence": 0.84,
        "evidence_note": "fraction of hydrophobic residues in sequence",
        "confidence_band": [
          0.395,
          0.475
        ],
        "not_enough_confidence": false
      },
      {
        "id": "charge_distribution_risk",
        "label": "charge distribution risk",
        "value": 0.13,
        "source": {
          "model": "PEPFOLD sequence analyzer",
          "version": "pepfold-triage-v1"
        },
        "confidence": 0.84,
        "evidence_note": "absolute net charge normalized by sequence length",
        "confidence_band": [
          0.09,
          0.17
        ],
        "not_enough_confidence": false
      },
      {
        "id": "solubility_risk",
        "label": "solubility risk",
        "value": 0.279,
        "source": {
          "model": "PEPFOLD developability heuristic",
          "version": "pepfold-triage-v1"
        },
        "confidence": 0.56,
        "evidence_note": "composite of aggregation risk, hydrophobic burden, and charge",
        "confidence_band": [
          0.169,
          0.389
        ],
        "not_enough_confidence": false
      },
      {
        "id": "developability_risk",
        "label": "developability risk",
        "value": 0.22,
        "source": {
          "model": "PEPFOLD developability heuristic",
          "version": "pepfold-triage-v1"
        },
        "confidence": 0.56,
        "evidence_note": "composite developability indicator used for triage",
        "confidence_band": [
          0.11,
          0.33
        ],
        "not_enough_confidence": false
      }
    ],
    "generated_at": "2026-06-16T04:09:24.807301+00:00",
    "report_version": "phase-a.v1",
    "sequence_length": 23,
    "synthesis_hints": [],
    "motif_liabilities": [
      "contains methionine; oxidation sensitivity possible"
    ],
    "developability_flags": [],
    "low_confidence_reasons": [
      "DSSP unavailable; secondary structure uses pLDDT fallback."
    ]
  },
  "audit": {
    "input": {
      "sequence_length": 23,
      "sequence_sha256": "aee3d502296714669ff7b03c6465cb78c4277242248bcea8807589161c21bf3d"
    },
    "output": {
      "report_sha256": "ce121cf822c153f8dd19ec468713e45c6466ed4eb1563af184a4f1b307352ecc"
    },
    "run_id": "run_e394ef58979446f494498d6904ead024",
    "timestamp": "2026-06-16T04:09:24.807387+00:00",
    "pipeline_versions": {
      "pep_model_version": "claude-opus-4-7",
      "fold_model_version": "esmatlas-esmfold-v1",
      "triage_model_version": "pepfold-triage-v1",
      "secondary_structure_source": "plddt_fallback"
    }
  },
  "attestation": null,
  "next_experiments": {
    "engine": "pepfold-recs-v1",
    "recommendations": [
      {
        "id": "liability_redesign",
        "technique": "LIABILITY REDESIGN ROUND",
        "rationale": "redesign to remove the flagged motif(s) before going wet-lab: contains methionine; oxidation sensitivity possible. minimal substitutions usually suffice (e.g. N→Q for deamidation hotspots, M→L for met oxidation).",
        "evidence": "1 motif liability flag(s) in the sequence",
        "turnaround_days": [
          0,
          1
        ],
        "tier": "in_silico_only"
      }
    ]
  },
  "comment": "magainin, or something that wants to be. completely unstructured in isolation which tracks, these antimicrobial peptides only fold when they hit a membrane. lots of lysines, amphipathic potential just sitting there waiting.",
  "tweet": {
    "id": "2066735198465831279",
    "url": "https://x.com/pepfoldagent/status/2066735198465831279"
  }
}