zard66666/OpenFold3-bucket / examples /common_examples /input_query_examples.json
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{
"queries":{
"ubiquitin": {
"chains": [
{
"molecule_type": "protein",
"chain_ids": [
"A"
],
"sequence": "MQIFVKTLTGKTITLEVEPSDTIENVKAKIQDKEGIPPDQQRLIFAGKQLEDGRTLSDYNIQKESTLHLVLRLRGG"
}
]
},
"leucine_zipper": {
"chains": [
{
"molecule_type": "protein",
"chain_ids": ["A", "B"],
"sequence": "XRMKQLEDKVEELLSKNYHLENEVARLKKLVGER"
}
]
},
"hemoglobin": {
"chains": [
{
"molecule_type": "protein",
"chain_ids": ["A", "C"],
"sequence": "VLSPADKTNVKAAWGKVGAHAGEYGAEALERMFLSFPTTKTYFPHFDLSHGSAQVKGHGKKVADALTNAVAHVDDMPNALSALSDLHAHKLRVDPVNFKLLSHCLLVTLAAHLPAEFTPAVHASLDKFLASVSTVLTSKYR"
},
{
"molecule_type": "protein",
"chain_ids": ["B", "D"],
"sequence": "VHLTPEEKSAVTALWGKVNVDEVGGEALGRLLVVYPWTQRFFESFGDLSTPDAVMGNPKVKAHGKKVLGAFSDGLAHLDNLKGTFATLSELHCDKLHVDPENFRLLGNVLVCVLAHHFGKEFTPPVQAAYQKVVAGVANALAHKYH"
}
]
},
"mcl1": {
"chains": [
{
"molecule_type": "protein",
"chain_ids": ["A", "B", "C", "D"],
"sequence": "GDDELYRQSLEIISRYLREQATGAKDTKPMGRSGATSRKALETLRRVGDGVQRNHETAFQGMLRKLDIKNEDDVKSLSRVMIHVFSDGVTNWGRIVTLISFGAFVAKHLKTINQESCIEPLAESITDVLVRTKRDWLVKQRGWDGFVEFFHVEDLEGG"
},
{
"molecule_type": "ligand",
"chain_ids": ["F", "G", "H"],
"ccd_codes": "ATP"
},
{
"molecule_type": "ligand",
"chain_ids": "Z",
"smiles": "CC(=O)OC1C[NH+]2CCC1CC2"
}
]
}
}
}

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