polyUb-AF/example-polyub.json at main · bio-phys/polyUb-AF · GitHub

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{
    "name": "polyub",
    "modelSeeds": [
        1
    ],
    "dialect": "alphafold3",
    "version": 2,
    "sequences": [
        {
            "protein": {
                "id": "A",
                "sequence": "MQIFVKTLTGKTITLEVEPSDTIENVKAKIQDKEGIPPDQQRLIFAGKQLEDGRTLSDYNIQKESTLHLVLRLRGGMQIFVKTLTGATITLEVEPSDTIENVKAKIQDKEGIPPDQQRLIFAGKQLEDGRTLSDYNIQKESTLHLVLRLRGGMQIFVKTLTGKTITLEVEPSDTIENVKAKIQDKEGIPPDQQRLIFAGKQLEDGRTLSDYNIQKESTLHLVLRLRGG"
            }
        },
        {
            "protein": {
                "id": "B",
                "sequence": "MQIFVKTLTGKTITLEVEPSDTIENVKAKIQDKEGIPPDQQRLIFAGKQLEDGRTLSDYNIQKESTLHLVLRLRGGMQIFVKTLTGKTITLEVEPSDTIENVKAKIQDKEGIPPDQQRLIFAGKQLEDGRTLSDYNIQKESTLHLVLRLRGG"
            }
        },
        {
            "protein": {
                "id": "C",
                "sequence": "MQIFVKTLTGKTITLEVEPSDTIENVKAKIQDKEGIPPDQQRLIFAGAQLEDGRTLSDYNIQKESTLHLVLRLRGG"
            }
        },
        {
            "ligand": {
                "id": "LB",
                "ccdCodes": [
                    "TME"
                ]
            }
        },
        {
            "ligand": {
                "id": "LA",
                "ccdCodes": [
                    "TME"
                ]
            }
        }
    ],
    "bondedAtomPairs": [
        [
            [
                "A",
                87,
                "CB"
            ],
            [
                "LB",
                1,
                "C1"
            ]
        ],
        [
            [
                "B",
                152,
                "OXT"
            ],
            [
                "LB",
                1,
                "C3"
            ]
        ],
        [
            [
                "C",
                48,
                "CB"
            ],
            [
                "LA",
                1,
                "C1"
            ]
        ],
        [
            [
                "A",
                228,
                "OXT"
            ],
            [
                "LA",
                1,
                "C3"
            ]
        ]
    ]
}