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#                 ARCTIC-3D                  #
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Starting ARCTIC-3D 0.6.0

[2026-11-13 13:40:52,228] cli.py:arctic3d:main:249: Target UNIPROTID: P00760
[2026-11-13 13:40:52,228] output.py:arctic3d.log:setup_output_folder:65: Setting up output folder example/arctic3d-P00760
[2026-11-13 13:40:52,689] interface.py:arctic3d.log:parse_interface_data:341: 52 retrieved interfaces.
[2026-11-13 13:40:52,692] cli.py:arctic3d:main:286: Interface Residues: {'P00760': [26, 27, 28, 30, 31, 32, 34, 36, 37, 42, 43, 44, 45, 63, 66, 68, 70, 71, 72, 79, 80, 81, 82, 83, 85, 87, 89, 100, 102, 103, 104, 121, 122, 140, 146, 147, 148, 149, 150, 153, 160, 162, 169, 172, 173, 176, 177, 178, 179, 180, 181, 190, 193, 194, 195, 196, 197, 198, 199, 200, 207, 208, 215, 216, 217, 218, 219, 220, 222, 223, 227, 240, 241, 245, 246], 'P80211': [44, 45, 46, 47, 48, 63, 65, 67, 81, 95, 97, 98, 99, 100, 101, 104, 127, 130, 149, 150, 151, 152, 154, 176, 194, 195, 196, 197, 198, 199, 200, 209, 214, 215, 216, 217, 218, 219, 225, 227, 228, 229], 'P10822': [43, 45, 46, 47, 63, 65, 66, 67, 99, 100, 101, 102, 103, 104, 107, 154, 175, 177, 178, 190, 194, 195, 196, 197, 198, 199, 200, 214, 215, 216, 217, 218, 219, 220, 223, 225, 227], 'A0A504Y4D3': [43, 45, 46, 47, 48, 63, 66, 96, 97, 98, 99, 100, 101, 102, 103, 104, 154, 178, 195, 196, 197, 198, 199, 200, 214, 215, 216, 217, 218, 225, 234, 235, 236, 237, 238, 241], 'Q6VEQ7': [45, 47, 48, 63, 65, 66, 67, 68, 90, 91, 92, 93, 102, 104, 149, 150, 152, 154, 178, 194, 195, 196, 197, 198, 199, 200, 214, 215, 216, 217, 218, 219, 220, 227], 'A0A6P5Y0F4': [43, 44, 45, 46, 47, 62, 63, 65, 72, 78, 79, 101, 102, 104, 107, 152, 154, 175, 178, 195, 196, 197, 198, 200, 214, 215, 216, 217, 218, 219, 220, 224, 225], 'Q7M1P4': [45, 46, 47, 48, 63, 66, 102, 104, 149, 150, 151, 152, 154, 178, 190, 194, 195, 196, 197, 198, 199, 200, 214, 215, 216, 217, 218, 219, 222, 223, 227], 'P01051': [45, 46, 47, 48, 63, 104, 151, 152, 153, 154, 155, 156, 157, 159, 176, 177, 194, 195, 196, 197, 198, 199, 200, 214, 215, 216, 217, 218, 219, 227], 'Other': [45, 46, 47, 48, 63, 65, 66, 101, 102, 104, 151, 152, 154, 178, 194, 195, 196, 197, 198, 199, 200, 214, 215, 216, 217, 218, 219, 220, 227], 'P86451': [45, 46, 47, 48, 63, 101, 102, 103, 104, 150, 151, 152, 154, 178, 194, 195, 196, 197, 198, 199, 200, 215, 216, 217, 218, 219, 220, 222, 227], 'P00974': [45, 46, 47, 48, 63, 66, 99, 101, 102, 103, 104, 154, 178, 194, 195, 196, 197, 198, 199, 200, 214, 215, 216, 217, 219, 220, 227, 228], 'P23827': [45, 46, 47, 48, 63, 64, 65, 66, 99, 101, 102, 103, 104, 146, 154, 175, 178, 196, 197, 198, 199, 200, 214, 215, 216, 217, 218, 219], 'P83052': [45, 47, 48, 63, 64, 65, 66, 101, 102, 104, 149, 150, 152, 154, 178, 194, 195, 196, 197, 198, 199, 200, 214, 215, 216, 217, 218, 219], 'P84781': [43, 45, 46, 47, 48, 63, 64, 65, 66, 78, 104, 144, 152, 154, 155, 194, 195, 196, 197, 198, 199, 200, 215, 216, 217, 219, 227, 229], 'Q4GWU5': [45, 46, 47, 48, 63, 101, 102, 103, 104, 154, 178, 194, 195, 196, 197, 198, 199, 200, 214, 215, 216, 217, 218, 219, 220, 227], 'P00998': [45, 46, 47, 48, 63, 102, 103, 152, 153, 154, 155, 178, 194, 195, 196, 197, 198, 199, 200, 214, 215, 216, 217, 218, 227], 'P01009': [46, 47, 48, 63, 64, 67, 101, 102, 104, 154, 178, 194, 195, 196, 197, 198, 199, 200, 215, 216, 217, 218, 219, 221, 227], 'P85981': [45, 46, 47, 48, 63, 65, 66, 102, 104, 154, 178, 194, 195, 196, 197, 198, 199, 200, 214, 215, 216, 217, 219, 220, 227], 'Q05G17': [45, 46, 47, 48, 63, 66, 101, 102, 104, 154, 175, 178, 194, 195, 196, 197, 198, 199, 200, 214, 215, 216, 217, 218, 219], 'Q9S9H8': [45, 47, 48, 63, 101, 102, 104, 154, 175, 176, 178, 194, 195, 196, 197, 198, 199, 200, 214, 215, 216, 217, 218, 219, 227], 'B2G3C8': [45, 46, 47, 48, 63, 66, 102, 103, 104, 154, 178, 194, 195, 196, 197, 198, 199, 200, 215, 216, 217, 219, 220, 227], 'P01062': [46, 47, 48, 63, 101, 102, 103, 104, 154, 178, 194, 195, 196, 197, 198, 199, 200, 214, 215, 216, 217, 218, 219, 227], 'PRD_001086': [45, 46, 47, 48, 63, 66, 102, 103, 104, 154, 178, 194, 195, 196, 197, 198, 199, 200, 215, 216, 217, 219, 220, 227], 'PRD_002374': [45, 47, 48, 63, 101, 102, 103, 104, 154, 178, 194, 195, 196, 197, 198, 199, 200, 214, 215, 216, 217, 218, 219, 227], 'Q95P16': [45, 46, 47, 48, 63, 66, 104, 154, 178, 194, 195, 196, 197, 198, 199, 200, 214, 215, 216, 217, 218, 219, 220, 227], 'P10295': [45, 46, 47, 48, 63, 102, 104, 152, 154, 178, 194, 195, 196, 197, 198, 199, 200, 215, 216, 217, 218, 219, 227], 'P82409': [45, 46, 47, 48, 63, 104, 151, 152, 154, 178, 194, 195, 196, 197, 198, 199, 200, 215, 216, 217, 218, 219, 227], 'PRD_000750': [45, 46, 47, 48, 63, 104, 151, 152, 154, 178, 194, 195, 196, 197, 198, 199, 200, 215, 216, 217, 218, 219, 227], 'PRD_000842': [46, 47, 48, 63, 101, 102, 104, 154, 178, 194, 195, 196, 197, 198, 199, 200, 214, 215, 216, 217, 218, 219, 227], 'PRD_001025': [45, 46, 47, 63, 101, 102, 103, 104, 178, 194, 195, 196, 197, 198, 199, 200, 214, 215, 216, 217, 218, 219, 227], 'Q0JR25': [46, 47, 48, 63, 64, 65, 66, 101, 102, 104, 154, 194, 195, 196, 197, 198, 199, 200, 214, 215, 216, 217, 227], 'Q90WA1': [45, 46, 47, 48, 63, 66, 102, 104, 152, 154, 194, 195, 196, 197, 198, 199, 200, 215, 216, 217, 219, 220, 227], 'O46162': [45, 47, 48, 63, 104, 174, 176, 194, 195, 196, 197, 198, 199, 200, 215, 216, 217, 218, 219, 220, 225, 227], 'P01074': [45, 46, 47, 48, 63, 104, 152, 154, 178, 194, 195, 196, 197, 198, 199, 200, 215, 216, 217, 218, 219, 227], 'P10293': [46, 47, 48, 63, 104, 152, 154, 178, 194, 195, 196, 197, 198, 199, 200, 214, 215, 216, 217, 218, 219, 227], 'P80321': [46, 47, 48, 63, 102, 104, 154, 178, 194, 195, 196, 197, 198, 199, 200, 215, 216, 217, 218, 219, 220, 227], 'PRD_001097': [46, 47, 48, 63, 101, 102, 104, 154, 178, 194, 195, 196, 197, 198, 199, 200, 215, 216, 217, 218, 219, 227], 'PRD_002533': [46, 47, 48, 63, 102, 103, 104, 154, 178, 194, 195, 196, 197, 198, 199, 200, 215, 216, 217, 219, 220, 227], 'P01055': [47, 48, 63, 101, 102, 104, 154, 178, 194, 195, 196, 197, 198, 199, 200, 214, 215, 216, 217, 218, 219], 'P01058': [45, 47, 63, 101, 102, 103, 104, 178, 194, 195, 196, 197, 198, 199, 200, 214, 215, 216, 217, 218, 225], 'P05067': [45, 46, 47, 48, 63, 66, 104, 154, 194, 195, 196, 197, 198, 199, 200, 215, 216, 217, 219, 220, 227], 'PRD_000846': [46, 47, 63, 101, 102, 103, 104, 154, 178, 194, 195, 196, 197, 198, 199, 200, 215, 216, 217, 219, 227], 'Q9S9F3': [45, 46, 47, 48, 63, 152, 154, 194, 195, 196, 197, 198, 199, 200, 215, 216, 217, 218, 219, 220, 227], 'P31713': [45, 46, 47, 63, 102, 104, 154, 178, 194, 195, 196, 197, 198, 199, 200, 215, 216, 217, 219, 227], 'P48307': [45, 47, 48, 63, 66, 104, 154, 194, 195, 196, 197, 198, 199, 200, 215, 216, 217, 219, 220, 227], 'P17734': [46, 47, 48, 63, 104, 154, 194, 195, 196, 197, 198, 199, 200, 214, 215, 216, 217, 219, 227], 'Q1EG59': [45, 46, 47, 48, 63, 154, 194, 195, 196, 197, 198, 199, 200, 214, 215, 216, 217, 219, 227], 'Q9S9E3': [46, 47, 48, 63, 104, 154, 194, 195, 196, 197, 198, 199, 200, 214, 215, 216, 217, 219, 227], 'P82107': [45, 46, 47, 63, 178, 195, 196, 197, 198, 199, 200, 214, 215, 216, 217, 218, 219], 'P00766': [134, 135, 136, 137, 138, 164, 165, 166, 167, 170, 187, 188, 189, 190, 207, 223], 'PRD_000216': [63, 104, 194, 195, 196, 197, 200, 214, 215, 216, 217, 218, 219, 220, 227], 'PRD_000556': [63, 104, 149, 197, 215, 216, 217, 218, 219, 220]}
[2026-11-13 13:40:54,165] pdb.py:arctic3d.log:validate_api_hit:657: 6swv-AAA failed validation (chain ID too big)
[2026-11-13 13:40:54,166] pdb.py:arctic3d.log:validate_api_hit:657: 6dwu-AA failed validation (chain ID too big)
[2026-11-13 13:40:54,166] pdb.py:arctic3d.log:validate_api_hit:657: 6dwu-AC failed validation (chain ID too big)
[2026-11-13 13:40:54,167] pdb.py:arctic3d.log:validate_api_hit:657: 6dwu-AE failed validation (chain ID too big)
[2026-11-13 13:40:54,167] pdb.py:arctic3d.log:validate_api_hit:657: 6dwu-AG failed validation (chain ID too big)
[2026-11-13 13:40:54,167] pdb.py:arctic3d.log:validate_api_hit:657: 6dwu-AI failed validation (chain ID too big)
[2026-11-13 13:40:54,167] pdb.py:arctic3d.log:validate_api_hit:657: 6dwu-AK failed validation (chain ID too big)
[2026-11-13 13:40:54,167] pdb.py:arctic3d.log:validate_api_hit:657: 6dwu-AM failed validation (chain ID too big)
[2026-11-13 13:40:54,167] pdb.py:arctic3d.log:validate_api_hit:657: 6dwu-AO failed validation (chain ID too big)
[2026-11-13 13:40:54,167] pdb.py:arctic3d.log:validate_api_hit:657: 6dwu-AQ failed validation (chain ID too big)
[2026-11-13 13:40:54,167] pdb.py:arctic3d.log:validate_api_hit:657: 6dwu-AS failed validation (chain ID too big)
[2026-11-13 13:40:54,167] pdb.py:arctic3d.log:validate_api_hit:657: 6dwu-AU failed validation (chain ID too big)
[2026-11-13 13:40:54,167] pdb.py:arctic3d.log:validate_api_hit:657: 6dwu-BA failed validation (chain ID too big)
[2026-11-13 13:40:54,167] pdb.py:arctic3d.log:validate_api_hit:657: 6dwu-BC failed validation (chain ID too big)
[2026-11-13 13:40:54,167] pdb.py:arctic3d.log:validate_api_hit:657: 6dwu-BE failed validation (chain ID too big)
[2026-11-13 13:40:54,167] pdb.py:arctic3d.log:validate_api_hit:657: 6dwu-BG failed validation (chain ID too big)
[2026-11-13 13:40:54,167] pdb.py:arctic3d.log:validate_api_hit:657: 6dwu-BI failed validation (chain ID too big)
[2026-11-13 13:40:54,167] pdb.py:arctic3d.log:validate_api_hit:657: 6dwu-BK failed validation (chain ID too big)
[2026-11-13 13:40:54,167] pdb.py:arctic3d.log:validate_api_hit:657: 6dwu-BM failed validation (chain ID too big)
[2026-11-13 13:40:54,167] pdb.py:arctic3d.log:validate_api_hit:657: 6dwu-BO failed validation (chain ID too big)
[2026-11-13 13:40:54,167] pdb.py:arctic3d.log:validate_api_hit:657: 6dwu-BQ failed validation (chain ID too big)
[2026-11-13 13:40:54,167] pdb.py:arctic3d.log:validate_api_hit:657: 6dwu-BS failed validation (chain ID too big)
[2026-11-13 13:40:54,167] pdb.py:arctic3d.log:validate_api_hit:657: 6dwu-BU failed validation (chain ID too big)
[2026-11-13 13:40:54,168] pdb.py:arctic3d.log:validate_api_hit:657: 6dwu-CA failed validation (chain ID too big)
[2026-11-13 13:40:54,168] pdb.py:arctic3d.log:validate_api_hit:657: 6dwu-CC failed validation (chain ID too big)
[2026-11-13 13:40:54,168] pdb.py:arctic3d.log:validate_api_hit:657: 6dwu-CE failed validation (chain ID too big)
[2026-11-13 13:40:54,168] pdb.py:arctic3d.log:validate_api_hit:657: 6dwu-CG failed validation (chain ID too big)
[2026-11-13 13:40:54,168] pdb.py:arctic3d.log:validate_api_hit:657: 6dwu-CI failed validation (chain ID too big)
[2026-11-13 13:40:54,168] pdb.py:arctic3d.log:validate_api_hit:657: 6dwu-CK failed validation (chain ID too big)
[2026-11-13 13:40:54,168] pdb.py:arctic3d.log:validate_api_hit:657: 6dwu-CM failed validation (chain ID too big)
[2026-11-13 13:40:54,168] pdb.py:arctic3d.log:validate_api_hit:657: 6dwu-CO failed validation (chain ID too big)
[2026-11-13 13:40:54,168] pdb.py:arctic3d.log:validate_api_hit:657: 6dwu-CQ failed validation (chain ID too big)
[2026-11-13 13:40:54,168] pdb.py:arctic3d.log:validate_api_hit:657: 6dwu-CS failed validation (chain ID too big)
[2026-11-13 13:40:54,168] pdb.py:arctic3d.log:validate_api_hit:657: 6dwu-CU failed validation (chain ID too big)
[2026-11-13 13:40:54,168] pdb.py:arctic3d.log:validate_api_hit:657: 6dwu-DA failed validation (chain ID too big)
[2026-11-13 13:40:54,168] pdb.py:arctic3d.log:validate_api_hit:657: 6dwu-DC failed validation (chain ID too big)
[2026-11-13 13:40:54,168] pdb.py:arctic3d.log:validate_api_hit:657: 6dwu-DE failed validation (chain ID too big)
[2026-11-13 13:40:54,168] pdb.py:arctic3d.log:validate_api_hit:657: 6dwu-DG failed validation (chain ID too big)
[2026-11-13 13:40:54,168] pdb.py:arctic3d.log:validate_api_hit:657: 6dwu-DI failed validation (chain ID too big)
[2026-11-13 13:40:54,168] pdb.py:arctic3d.log:validate_api_hit:657: 6dwu-DK failed validation (chain ID too big)
[2026-11-13 13:40:54,168] pdb.py:arctic3d.log:validate_api_hit:657: 6dwu-DM failed validation (chain ID too big)
[2026-11-13 13:40:54,168] pdb.py:arctic3d.log:validate_api_hit:657: 6dwu-DO failed validation (chain ID too big)
[2026-11-13 13:40:54,168] pdb.py:arctic3d.log:validate_api_hit:657: 6dwu-DQ failed validation (chain ID too big)
[2026-11-13 13:40:54,168] pdb.py:arctic3d.log:validate_api_hit:657: 6dwu-DS failed validation (chain ID too big)
[2026-11-13 13:40:54,168] pdb.py:arctic3d.log:validate_api_hit:657: 6dwu-DU failed validation (chain ID too big)
[2026-11-13 13:40:54,169] pdb.py:arctic3d.log:validate_api_hit:658: Found 704 valid PDBs to fetch
[2026-11-13 13:40:54,169] pdb.py:arctic3d.log:fetch_updated_cif:228: Fetching updated CIF file 4xoj from PDBE
[2026-11-13 13:40:54,325] pdb.py:arctic3d.log:fetch_pdb_files:425: converted cif to pdb files: [PosixPath('4xoj-A.pdb')]
[2026-11-13 13:40:54,325] pdb.py:arctic3d.log:fetch_updated_cif:228: Fetching updated CIF file 30zs from PDBE
[2026-11-13 13:40:54,531] pdb.py:arctic3d.log:fetch_pdb_files:425: converted cif to pdb files: [PosixPath('30zs-A.pdb'), PosixPath('30zs-C.pdb'), PosixPath('30zs-D.pdb')]
[2026-11-13 13:40:54,531] pdb.py:arctic3d.log:fetch_updated_cif:228: Fetching updated CIF file 6sy3 from PDBE
[2026-11-13 13:40:54,881] pdb.py:arctic3d.log:fetch_pdb_files:425: converted cif to pdb files: [PosixPath('6sy3-A.pdb')]
[2026-11-13 13:40:54,882] pdb.py:arctic3d.log:fetch_updated_cif:228: Fetching updated CIF file 30zu from PDBE
[2026-11-13 13:40:55,073] pdb.py:arctic3d.log:fetch_pdb_files:425: converted cif to pdb files: [PosixPath('30zu-A.pdb')]
[2026-11-13 13:40:55,073] pdb.py:arctic3d.log:fetch_updated_cif:228: Fetching updated CIF file 6t9u from PDBE
[2026-11-13 13:40:55,238] pdb.py:arctic3d.log:fetch_pdb_files:425: converted cif to pdb files: [PosixPath('6t9u-A.pdb')]
[2026-11-13 13:40:55,238] pdb.py:arctic3d.log:fetch_updated_cif:228: Fetching updated CIF file 6t9v from PDBE
[2026-11-13 13:40:55,418] pdb.py:arctic3d.log:fetch_pdb_files:425: converted cif to pdb files: [PosixPath('6t9v-A.pdb')]
[2026-11-13 13:40:55,419] pdb.py:arctic3d.log:fetch_updated_cif:228: Fetching updated CIF file 6t5w from PDBE
[2026-11-13 13:40:55,801] pdb.py:arctic3d.log:fetch_pdb_files:425: converted cif to pdb files: [PosixPath('6t5w-A.pdb')]
[2026-11-13 13:40:55,801] pdb.py:arctic3d.log:fetch_updated_cif:228: Fetching updated CIF file 9yb9 from PDBE
[2026-11-13 13:40:55,939] pdb.py:arctic3d.log:fetch_pdb_files:425: converted cif to pdb files: [PosixPath('9yb9-A.pdb')]
[2026-11-13 13:40:55,939] pdb.py:arctic3d.log:fetch_updated_cif:228: Fetching updated CIF file 1utn from PDBE
[2026-11-13 13:40:56,108] pdb.py:arctic3d.log:fetch_pdb_files:425: converted cif to pdb files: [PosixPath('1utn-A.pdb')]
[2026-11-13 13:40:56,108] pdb.py:arctic3d.log:fetch_updated_cif:228: Fetching updated CIF file 1uto from PDBE
[2026-11-13 13:40:56,249] pdb.py:arctic3d.log:fetch_pdb_files:425: converted cif to pdb files: [PosixPath('1uto-A.pdb')]
[2026-11-13 13:40:56,249] pdb.py:arctic3d.log:fetch_updated_cif:228: Fetching updated CIF file 1utq from PDBE
[2026-11-13 13:40:56,404] pdb.py:arctic3d.log:fetch_pdb_files:425: converted cif to pdb files: [PosixPath('1utq-A.pdb')]
[2026-11-13 13:40:56,404] pdb.py:arctic3d.log:fetch_updated_cif:228: Fetching updated CIF file 9yba from PDBE
[2026-11-13 13:40:56,566] pdb.py:arctic3d.log:fetch_pdb_files:425: converted cif to pdb files: [PosixPath('9yba-A.pdb')]
[2026-11-13 13:40:56,566] pdb.py:arctic3d.log:fetch_updated_cif:228: Fetching updated CIF file 6t0p from PDBE
[2026-11-13 13:40:56,729] pdb.py:arctic3d.log:fetch_pdb_files:425: converted cif to pdb files: [PosixPath('6t0p-A.pdb')]
[2026-11-13 13:40:56,729] pdb.py:arctic3d.log:fetch_updated_cif:228: Fetching updated CIF file 6yis from PDBE
[2026-11-13 13:40:56,883] pdb.py:arctic3d.log:fetch_pdb_files:425: converted cif to pdb files: [PosixPath('6yis-A.pdb')]
[2026-11-13 13:40:56,883] pdb.py:arctic3d.log:fetch_updated_cif:228: Fetching updated CIF file 9yb8 from PDBE
[2026-11-13 13:40:57,174] pdb.py:arctic3d.log:fetch_pdb_files:425: converted cif to pdb files: [PosixPath('9yb8-A.pdb')]
[2026-11-13 13:40:57,175] pdb.py:arctic3d.log:fetch_updated_cif:228: Fetching updated CIF file 1utp from PDBE
[2026-11-13 13:40:57,321] pdb.py:arctic3d.log:fetch_pdb_files:425: converted cif to pdb files: [PosixPath('1utp-A.pdb')]
[2026-11-13 13:40:57,321] pdb.py:arctic3d.log:fetch_updated_cif:228: Fetching updated CIF file 2by5 from PDBE
[2026-11-13 13:40:57,463] pdb.py:arctic3d.log:fetch_pdb_files:425: converted cif to pdb files: [PosixPath('2by5-X.pdb')]
[2026-11-13 13:40:57,463] pdb.py:arctic3d.log:fetch_updated_cif:228: Fetching updated CIF file 2by6 from PDBE
[2026-11-13 13:40:57,628] pdb.py:arctic3d.log:fetch_pdb_files:425: converted cif to pdb files: [PosixPath('2by6-X.pdb')]
[2026-11-13 13:40:57,628] pdb.py:arctic3d.log:fetch_updated_cif:228: Fetching updated CIF file 2by7 from PDBE
[2026-11-13 13:40:57,786] pdb.py:arctic3d.log:fetch_pdb_files:425: converted cif to pdb files: [PosixPath('2by7-X.pdb')]
[2026-11-13 13:40:57,786] pdb.py:arctic3d.log:fetch_updated_cif:228: Fetching updated CIF file 2by8 from PDBE
[2026-11-13 13:40:57,959] pdb.py:arctic3d.log:fetch_pdb_files:425: converted cif to pdb files: [PosixPath('2by8-X.pdb')]
[2026-11-13 13:40:57,959] pdb.py:arctic3d.log:validate_api_hit:663: Fetched 20 valid PDBs
[2026-11-13 13:40:57,959] pdb.py:arctic3d.log:get_maxint_pdb:747: Selecting pdb retaining the most interfaces
[2026-11-13 13:40:57,978] interface_matrix.py:arctic3d.log:filter_interfaces:182: Filtering interface dictionary with interface coverage cutoff = 0.7
[2026-11-13 13:40:57,980] interface_matrix.py:arctic3d.log:filter_interfaces:195: 52 retained_interfaces
[2026-11-13 13:40:57,997] interface_matrix.py:arctic3d.log:filter_interfaces:182: Filtering interface dictionary with interface coverage cutoff = 0.7
[2026-11-13 13:40:57,999] interface_matrix.py:arctic3d.log:filter_interfaces:195: 52 retained_interfaces
[2026-11-13 13:40:58,014] interface_matrix.py:arctic3d.log:filter_interfaces:182: Filtering interface dictionary with interface coverage cutoff = 0.7
[2026-11-13 13:40:58,015] interface_matrix.py:arctic3d.log:filter_interfaces:195: 52 retained_interfaces
[2026-11-13 13:40:58,031] interface_matrix.py:arctic3d.log:filter_interfaces:182: Filtering interface dictionary with interface coverage cutoff = 0.7
[2026-11-13 13:40:58,032] interface_matrix.py:arctic3d.log:filter_interfaces:195: 52 retained_interfaces
[2026-11-13 13:40:58,048] interface_matrix.py:arctic3d.log:filter_interfaces:182: Filtering interface dictionary with interface coverage cutoff = 0.7
[2026-11-13 13:40:58,049] interface_matrix.py:arctic3d.log:filter_interfaces:195: 52 retained_interfaces
[2026-11-13 13:40:58,064] interface_matrix.py:arctic3d.log:filter_interfaces:182: Filtering interface dictionary with interface coverage cutoff = 0.7
[2026-11-13 13:40:58,066] interface_matrix.py:arctic3d.log:filter_interfaces:195: 52 retained_interfaces
[2026-11-13 13:40:58,081] interface_matrix.py:arctic3d.log:filter_interfaces:182: Filtering interface dictionary with interface coverage cutoff = 0.7
[2026-11-13 13:40:58,082] interface_matrix.py:arctic3d.log:filter_interfaces:195: 52 retained_interfaces
[2026-11-13 13:40:58,098] interface_matrix.py:arctic3d.log:filter_interfaces:182: Filtering interface dictionary with interface coverage cutoff = 0.7
[2026-11-13 13:40:58,100] interface_matrix.py:arctic3d.log:filter_interfaces:195: 52 retained_interfaces
[2026-11-13 13:40:58,114] interface_matrix.py:arctic3d.log:filter_interfaces:182: Filtering interface dictionary with interface coverage cutoff = 0.7
[2026-11-13 13:40:58,116] interface_matrix.py:arctic3d.log:filter_interfaces:195: 52 retained_interfaces
[2026-11-13 13:40:58,131] interface_matrix.py:arctic3d.log:filter_interfaces:182: Filtering interface dictionary with interface coverage cutoff = 0.7
[2026-11-13 13:40:58,132] interface_matrix.py:arctic3d.log:filter_interfaces:195: 52 retained_interfaces
[2026-11-13 13:40:58,148] interface_matrix.py:arctic3d.log:filter_interfaces:182: Filtering interface dictionary with interface coverage cutoff = 0.7
[2026-11-13 13:40:58,150] interface_matrix.py:arctic3d.log:filter_interfaces:195: 52 retained_interfaces
[2026-11-13 13:40:58,165] interface_matrix.py:arctic3d.log:filter_interfaces:182: Filtering interface dictionary with interface coverage cutoff = 0.7
[2026-11-13 13:40:58,166] interface_matrix.py:arctic3d.log:filter_interfaces:195: 52 retained_interfaces
[2026-11-13 13:40:58,181] interface_matrix.py:arctic3d.log:filter_interfaces:182: Filtering interface dictionary with interface coverage cutoff = 0.7
[2026-11-13 13:40:58,183] interface_matrix.py:arctic3d.log:filter_interfaces:195: 52 retained_interfaces
[2026-11-13 13:40:58,198] interface_matrix.py:arctic3d.log:filter_interfaces:182: Filtering interface dictionary with interface coverage cutoff = 0.7
[2026-11-13 13:40:58,199] interface_matrix.py:arctic3d.log:filter_interfaces:195: 52 retained_interfaces
[2026-11-13 13:40:58,215] interface_matrix.py:arctic3d.log:filter_interfaces:182: Filtering interface dictionary with interface coverage cutoff = 0.7
[2026-11-13 13:40:58,216] interface_matrix.py:arctic3d.log:filter_interfaces:195: 52 retained_interfaces
[2026-11-13 13:40:58,231] interface_matrix.py:arctic3d.log:filter_interfaces:182: Filtering interface dictionary with interface coverage cutoff = 0.7
[2026-11-13 13:40:58,232] interface_matrix.py:arctic3d.log:filter_interfaces:195: 52 retained_interfaces
[2026-11-13 13:40:58,247] interface_matrix.py:arctic3d.log:filter_interfaces:182: Filtering interface dictionary with interface coverage cutoff = 0.7
[2026-11-13 13:40:58,249] interface_matrix.py:arctic3d.log:filter_interfaces:195: 52 retained_interfaces
[2026-11-13 13:40:58,263] interface_matrix.py:arctic3d.log:filter_interfaces:182: Filtering interface dictionary with interface coverage cutoff = 0.7
[2026-11-13 13:40:58,264] interface_matrix.py:arctic3d.log:filter_interfaces:195: 52 retained_interfaces
[2026-11-13 13:40:58,279] interface_matrix.py:arctic3d.log:filter_interfaces:182: Filtering interface dictionary with interface coverage cutoff = 0.7
[2026-11-13 13:40:58,280] interface_matrix.py:arctic3d.log:filter_interfaces:195: 52 retained_interfaces
[2026-11-13 13:40:58,294] interface_matrix.py:arctic3d.log:filter_interfaces:182: Filtering interface dictionary with interface coverage cutoff = 0.7
[2026-11-13 13:40:58,295] interface_matrix.py:arctic3d.log:filter_interfaces:195: 52 retained_interfaces
[2026-11-13 13:40:58,301] pdb.py:arctic3d.log:get_maxint_pdb:785: filtered_interfaces {'P00760': [26, 27, 28, 30, 31, 32, 34, 36, 37, 42, 43, 44, 45, 63, 66, 68, 70, 71, 72, 79, 80, 81, 82, 83, 85, 87, 89, 100, 102, 103, 104, 121, 122, 140, 146, 147, 148, 149, 150, 153, 160, 162, 169, 172, 173, 176, 177, 178, 179, 180, 181, 190, 193, 194, 195, 196, 197, 198, 199, 200, 207, 208, 215, 216, 217, 218, 219, 220, 222, 223, 227, 240, 241, 245, 246], 'P80211': [44, 45, 46, 47, 48, 63, 65, 67, 81, 95, 97, 98, 99, 100, 101, 104, 127, 130, 149, 150, 151, 152, 154, 176, 194, 195, 196, 197, 198, 199, 200, 209, 214, 215, 216, 217, 218, 219, 225, 227, 228, 229], 'P10822': [43, 45, 46, 47, 63, 65, 66, 67, 99, 100, 101, 102, 103, 104, 107, 154, 175, 177, 178, 190, 194, 195, 196, 197, 198, 199, 200, 214, 215, 216, 217, 218, 219, 220, 223, 225, 227], 'A0A504Y4D3': [43, 45, 46, 47, 48, 63, 66, 96, 97, 98, 99, 100, 101, 102, 103, 104, 154, 178, 195, 196, 197, 198, 199, 200, 214, 215, 216, 217, 218, 225, 234, 235, 236, 237, 238, 241], 'Q6VEQ7': [45, 47, 48, 63, 65, 66, 67, 68, 90, 91, 92, 93, 102, 104, 149, 150, 152, 154, 178, 194, 195, 196, 197, 198, 199, 200, 214, 215, 216, 217, 218, 219, 220, 227], 'A0A6P5Y0F4': [43, 44, 45, 46, 47, 62, 63, 65, 72, 78, 79, 101, 102, 104, 107, 152, 154, 175, 178, 195, 196, 197, 198, 200, 214, 215, 216, 217, 218, 219, 220, 224, 225], 'Q7M1P4': [45, 46, 47, 48, 63, 66, 102, 104, 149, 150, 151, 152, 154, 178, 190, 194, 195, 196, 197, 198, 199, 200, 214, 215, 216, 217, 218, 219, 222, 223, 227], 'P01051': [45, 46, 47, 48, 63, 104, 151, 152, 153, 154, 155, 156, 157, 159, 176, 177, 194, 195, 196, 197, 198, 199, 200, 214, 215, 216, 217, 218, 219, 227], 'Other': [45, 46, 47, 48, 63, 65, 66, 101, 102, 104, 151, 152, 154, 178, 194, 195, 196, 197, 198, 199, 200, 214, 215, 216, 217, 218, 219, 220, 227], 'P86451': [45, 46, 47, 48, 63, 101, 102, 103, 104, 150, 151, 152, 154, 178, 194, 195, 196, 197, 198, 199, 200, 215, 216, 217, 218, 219, 220, 222, 227], 'P00974': [45, 46, 47, 48, 63, 66, 99, 101, 102, 103, 104, 154, 178, 194, 195, 196, 197, 198, 199, 200, 214, 215, 216, 217, 219, 220, 227, 228], 'P23827': [45, 46, 47, 48, 63, 64, 65, 66, 99, 101, 102, 103, 104, 146, 154, 175, 178, 196, 197, 198, 199, 200, 214, 215, 216, 217, 218, 219], 'P83052': [45, 47, 48, 63, 64, 65, 66, 101, 102, 104, 149, 150, 152, 154, 178, 194, 195, 196, 197, 198, 199, 200, 214, 215, 216, 217, 218, 219], 'P84781': [43, 45, 46, 47, 48, 63, 64, 65, 66, 78, 104, 144, 152, 154, 155, 194, 195, 196, 197, 198, 199, 200, 215, 216, 217, 219, 227, 229], 'Q4GWU5': [45, 46, 47, 48, 63, 101, 102, 103, 104, 154, 178, 194, 195, 196, 197, 198, 199, 200, 214, 215, 216, 217, 218, 219, 220, 227], 'P00998': [45, 46, 47, 48, 63, 102, 103, 152, 153, 154, 155, 178, 194, 195, 196, 197, 198, 199, 200, 214, 215, 216, 217, 218, 227], 'P01009': [46, 47, 48, 63, 64, 67, 101, 102, 104, 154, 178, 194, 195, 196, 197, 198, 199, 200, 215, 216, 217, 218, 219, 221, 227], 'P85981': [45, 46, 47, 48, 63, 65, 66, 102, 104, 154, 178, 194, 195, 196, 197, 198, 199, 200, 214, 215, 216, 217, 219, 220, 227], 'Q05G17': [45, 46, 47, 48, 63, 66, 101, 102, 104, 154, 175, 178, 194, 195, 196, 197, 198, 199, 200, 214, 215, 216, 217, 218, 219], 'Q9S9H8': [45, 47, 48, 63, 101, 102, 104, 154, 175, 176, 178, 194, 195, 196, 197, 198, 199, 200, 214, 215, 216, 217, 218, 219, 227], 'B2G3C8': [45, 46, 47, 48, 63, 66, 102, 103, 104, 154, 178, 194, 195, 196, 197, 198, 199, 200, 215, 216, 217, 219, 220, 227], 'P01062': [46, 47, 48, 63, 101, 102, 103, 104, 154, 178, 194, 195, 196, 197, 198, 199, 200, 214, 215, 216, 217, 218, 219, 227], 'PRD_001086': [45, 46, 47, 48, 63, 66, 102, 103, 104, 154, 178, 194, 195, 196, 197, 198, 199, 200, 215, 216, 217, 219, 220, 227], 'PRD_002374': [45, 47, 48, 63, 101, 102, 103, 104, 154, 178, 194, 195, 196, 197, 198, 199, 200, 214, 215, 216, 217, 218, 219, 227], 'Q95P16': [45, 46, 47, 48, 63, 66, 104, 154, 178, 194, 195, 196, 197, 198, 199, 200, 214, 215, 216, 217, 218, 219, 220, 227], 'P10295': [45, 46, 47, 48, 63, 102, 104, 152, 154, 178, 194, 195, 196, 197, 198, 199, 200, 215, 216, 217, 218, 219, 227], 'P82409': [45, 46, 47, 48, 63, 104, 151, 152, 154, 178, 194, 195, 196, 197, 198, 199, 200, 215, 216, 217, 218, 219, 227], 'PRD_000750': [45, 46, 47, 48, 63, 104, 151, 152, 154, 178, 194, 195, 196, 197, 198, 199, 200, 215, 216, 217, 218, 219, 227], 'PRD_000842': [46, 47, 48, 63, 101, 102, 104, 154, 178, 194, 195, 196, 197, 198, 199, 200, 214, 215, 216, 217, 218, 219, 227], 'PRD_001025': [45, 46, 47, 63, 101, 102, 103, 104, 178, 194, 195, 196, 197, 198, 199, 200, 214, 215, 216, 217, 218, 219, 227], 'Q0JR25': [46, 47, 48, 63, 64, 65, 66, 101, 102, 104, 154, 194, 195, 196, 197, 198, 199, 200, 214, 215, 216, 217, 227], 'Q90WA1': [45, 46, 47, 48, 63, 66, 102, 104, 152, 154, 194, 195, 196, 197, 198, 199, 200, 215, 216, 217, 219, 220, 227], 'O46162': [45, 47, 48, 63, 104, 174, 176, 194, 195, 196, 197, 198, 199, 200, 215, 216, 217, 218, 219, 220, 225, 227], 'P01074': [45, 46, 47, 48, 63, 104, 152, 154, 178, 194, 195, 196, 197, 198, 199, 200, 215, 216, 217, 218, 219, 227], 'P10293': [46, 47, 48, 63, 104, 152, 154, 178, 194, 195, 196, 197, 198, 199, 200, 214, 215, 216, 217, 218, 219, 227], 'P80321': [46, 47, 48, 63, 102, 104, 154, 178, 194, 195, 196, 197, 198, 199, 200, 215, 216, 217, 218, 219, 220, 227], 'PRD_001097': [46, 47, 48, 63, 101, 102, 104, 154, 178, 194, 195, 196, 197, 198, 199, 200, 215, 216, 217, 218, 219, 227], 'PRD_002533': [46, 47, 48, 63, 102, 103, 104, 154, 178, 194, 195, 196, 197, 198, 199, 200, 215, 216, 217, 219, 220, 227], 'P01055': [47, 48, 63, 101, 102, 104, 154, 178, 194, 195, 196, 197, 198, 199, 200, 214, 215, 216, 217, 218, 219], 'P01058': [45, 47, 63, 101, 102, 103, 104, 178, 194, 195, 196, 197, 198, 199, 200, 214, 215, 216, 217, 218, 225], 'P05067': [45, 46, 47, 48, 63, 66, 104, 154, 194, 195, 196, 197, 198, 199, 200, 215, 216, 217, 219, 220, 227], 'PRD_000846': [46, 47, 63, 101, 102, 103, 104, 154, 178, 194, 195, 196, 197, 198, 199, 200, 215, 216, 217, 219, 227], 'Q9S9F3': [45, 46, 47, 48, 63, 152, 154, 194, 195, 196, 197, 198, 199, 200, 215, 216, 217, 218, 219, 220, 227], 'P31713': [45, 46, 47, 63, 102, 104, 154, 178, 194, 195, 196, 197, 198, 199, 200, 215, 216, 217, 219, 227], 'P48307': [45, 47, 48, 63, 66, 104, 154, 194, 195, 196, 197, 198, 199, 200, 215, 216, 217, 219, 220, 227], 'P17734': [46, 47, 48, 63, 104, 154, 194, 195, 196, 197, 198, 199, 200, 214, 215, 216, 217, 219, 227], 'Q1EG59': [45, 46, 47, 48, 63, 154, 194, 195, 196, 197, 198, 199, 200, 214, 215, 216, 217, 219, 227], 'Q9S9E3': [46, 47, 48, 63, 104, 154, 194, 195, 196, 197, 198, 199, 200, 214, 215, 216, 217, 219, 227], 'P82107': [45, 46, 47, 63, 178, 195, 196, 197, 198, 199, 200, 214, 215, 216, 217, 218, 219], 'P00766': [134, 135, 136, 137, 138, 164, 165, 166, 167, 170, 187, 188, 189, 190, 207, 223], 'PRD_000216': [63, 104, 194, 195, 196, 197, 200, 214, 215, 216, 217, 218, 219, 220, 227], 'PRD_000556': [63, 104, 149, 197, 215, 216, 217, 218, 219, 220]}
[2026-11-13 13:40:58,301] pdb.py:arctic3d.log:get_maxint_pdb:786: pdb 4xoj-A-occ-tidy.pdb retains the most interfaces (52)
[2026-11-13 13:40:58,301] pdb.py:arctic3d.log:get_best_pdb:916: BestPDB hit for P00760: 4xoj_A 1.0 coverage 0.91 Angstrom / start 1 end 246
[2026-11-13 13:40:58,301] cli.py:arctic3d:main:323: PDB file: P00760-4xoj-A.pdb
[2026-11-13 13:40:58,301] interface_matrix.py:arctic3d.log:interface_matrix:238: Computing interface matrix
[2026-11-13 13:40:58,311] interface_matrix.py:arctic3d.log:filter_interfaces:182: Filtering interface dictionary with interface coverage cutoff = 0.7
[2026-11-13 13:40:58,312] interface_matrix.py:arctic3d.log:filter_interfaces:195: 52 retained_interfaces
[2026-11-13 13:40:58,312] interface_matrix.py:arctic3d.log:interface_matrix:248: Retained interfaces: ['P00760', 'P80211', 'P10822', 'A0A504Y4D3', 'Q6VEQ7', 'A0A6P5Y0F4', 'Q7M1P4', 'P01051', 'Other', 'P86451', 'P00974', 'P23827', 'P83052', 'P84781', 'Q4GWU5', 'P00998', 'P01009', 'P85981', 'Q05G17', 'Q9S9H8', 'B2G3C8', 'P01062', 'PRD_001086', 'PRD_002374', 'Q95P16', 'P10295', 'P82409', 'PRD_000750', 'PRD_000842', 'PRD_001025', 'Q0JR25', 'Q90WA1', 'O46162', 'P01074', 'P10293', 'P80321', 'PRD_001097', 'PRD_002533', 'P01055', 'P01058', 'P05067', 'PRD_000846', 'Q9S9F3', 'P31713', 'P48307', 'P17734', 'Q1EG59', 'Q9S9E3', 'P82107', 'P00766', 'PRD_000216', 'PRD_000556']
[2026-11-13 13:40:58,312] interface_matrix.py:arctic3d.log:interface_matrix:252: 1326 pairs of interfaces
[2026-11-13 13:40:58,313] interface_matrix.py:arctic3d.log:interface_matrix:255: Interacting residues [26, 27, 28, 30, 31, 32, 34, 36, 37, 42, 43, 44, 45, 46, 47, 48, 62, 63, 64, 65, 66, 67, 68, 70, 71, 72, 78, 79, 80, 81, 82, 83, 85, 87, 89, 90, 91, 92, 93, 95, 96, 97, 98, 99, 100, 101, 102, 103, 104, 107, 121, 122, 127, 130, 134, 135, 136, 137, 138, 140, 144, 146, 147, 148, 149, 150, 151, 152, 153, 154, 155, 156, 157, 159, 160, 162, 164, 165, 166, 167, 169, 170, 172, 173, 174, 175, 176, 177, 178, 179, 180, 181, 187, 188, 189, 190, 193, 194, 195, 196, 197, 198, 199, 200, 207, 208, 209, 214, 215, 216, 217, 218, 219, 220, 221, 222, 223, 224, 225, 227, 228, 229, 234, 235, 236, 237, 238, 240, 241, 245, 246]
[2026-11-13 13:40:58,326] interface_matrix.py:arctic3d.log:output_interface_matrix:119: Writing interface similarity matrix to file interface_matrix.txt
[2026-11-13 13:40:58,327] interface_matrix.py:arctic3d.log:interface_matrix:296: Interface matrix calculated in 0.03 seconds
[2026-11-13 13:40:58,327] clustering.py:arctic3d.log:interface_clustering:202: Clustering interface matrix
[2026-11-13 13:40:58,334] interface_matrix.py:arctic3d.log:read_int_matrix:334: Ligand names ['P00760', 'P80211', 'P10822', 'A0A504Y4D3', 'Q6VEQ7', 'A0A6P5Y0F4', 'Q7M1P4', 'P01051', 'Other', 'P86451', 'P00974', 'P23827', 'P83052', 'P84781', 'Q4GWU5', 'P00998', 'P01009', 'P85981', 'Q05G17', 'Q9S9H8', 'B2G3C8', 'P01062', 'PRD_001086', 'PRD_002374', 'Q95P16', 'P10295', 'P82409', 'PRD_000750', 'PRD_000842', 'PRD_001025', 'Q0JR25', 'Q90WA1', 'O46162', 'P01074', 'P10293', 'P80321', 'PRD_001097', 'PRD_002533', 'P01055', 'P01058', 'P05067', 'PRD_000846', 'Q9S9F3', 'P31713', 'P48307', 'P17734', 'Q1EG59', 'Q9S9E3', 'P82107', 'P00766', 'PRD_000216', 'PRD_000556']
[2026-11-13 13:40:58,334] clustering.py:arctic3d.log:cluster_similarity_matrix:88: Clustering with linkage average and threshold 0.866
[2026-11-13 13:40:58,453] clustering.py:arctic3d.log:plot_dendrogram:38: High number of entries, truncating dendrogram...
[2026-11-13 13:40:58,983] clustering.py:arctic3d.log:cluster_similarity_matrix:97: Dendrogram created and clustered.
[2026-11-13 13:40:58,983] clustering.py:arctic3d.log:cluster_similarity_matrix:98: Clusters = [1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1]
[2026-11-13 13:40:58,983] clustering.py:arctic3d.log:get_clustering_dict:134: Cluster dictionary {np.int32(1): ['P00760', 'P80211', 'P10822', 'A0A504Y4D3', 'Q6VEQ7', 'A0A6P5Y0F4', 'Q7M1P4', 'P01051', 'Other', 'P86451', 'P00974', 'P23827', 'P83052', 'P84781', 'Q4GWU5', 'P00998', 'P01009', 'P85981', 'Q05G17', 'Q9S9H8', 'B2G3C8', 'P01062', 'PRD_001086', 'PRD_002374', 'Q95P16', 'P10295', 'P82409', 'PRD_000750', 'PRD_000842', 'PRD_001025', 'Q0JR25', 'Q90WA1', 'O46162', 'P01074', 'P10293', 'P80321', 'PRD_001097', 'PRD_002533', 'P01055', 'P01058', 'P05067', 'PRD_000846', 'Q9S9F3', 'P31713', 'P48307', 'P17734', 'Q1EG59', 'Q9S9E3', 'P82107', 'PRD_000216', 'PRD_000556'], np.int32(2): ['P00766']}
[2026-11-13 13:40:58,983] clustering.py:arctic3d.log:interface_clustering:221: Clustering performed in 0.657 seconds
[2026-11-13 13:40:58,983] clustering.py:arctic3d.log:interface_clustering:222: Clustering produced 2 clusters
[2026-11-13 13:40:58,983] cli.py:arctic3d:main:338: Clustered interfaces {np.int32(1): ['P00760', 'P80211', 'P10822', 'A0A504Y4D3', 'Q6VEQ7', 'A0A6P5Y0F4', 'Q7M1P4', 'P01051', 'Other', 'P86451', 'P00974', 'P23827', 'P83052', 'P84781', 'Q4GWU5', 'P00998', 'P01009', 'P85981', 'Q05G17', 'Q9S9H8', 'B2G3C8', 'P01062', 'PRD_001086', 'PRD_002374', 'Q95P16', 'P10295', 'P82409', 'PRD_000750', 'PRD_000842', 'PRD_001025', 'Q0JR25', 'Q90WA1', 'O46162', 'P01074', 'P10293', 'P80321', 'PRD_001097', 'PRD_002533', 'P01055', 'P01058', 'P05067', 'PRD_000846', 'Q9S9F3', 'P31713', 'P48307', 'P17734', 'Q1EG59', 'Q9S9E3', 'P82107', 'PRD_000216', 'PRD_000556'], np.int32(2): ['P00766']}
[2026-11-13 13:40:58,983] cli.py:arctic3d:main:339: Clustered interface residues: {np.int32(1): [np.int64(26), np.int64(27), np.int64(28), np.int64(30), np.int64(31), np.int64(32), np.int64(34), np.int64(36), np.int64(37), np.int64(42), np.int64(43), np.int64(44), np.int64(45), np.int64(46), np.int64(47), np.int64(48), np.int64(62), np.int64(63), np.int64(64), np.int64(65), np.int64(66), np.int64(67), np.int64(68), np.int64(70), np.int64(71), np.int64(72), np.int64(78), np.int64(79), np.int64(80), np.int64(81), np.int64(82), np.int64(83), np.int64(85), np.int64(87), np.int64(89), np.int64(90), np.int64(91), np.int64(92), np.int64(93), np.int64(95), np.int64(96), np.int64(97), np.int64(98), np.int64(99), np.int64(100), np.int64(101), np.int64(102), np.int64(103), np.int64(104), np.int64(107), np.int64(121), np.int64(122), np.int64(127), np.int64(130), np.int64(140), np.int64(144), np.int64(146), np.int64(147), np.int64(148), np.int64(149), np.int64(150), np.int64(151), np.int64(152), np.int64(153), np.int64(154), np.int64(155), np.int64(156), np.int64(157), np.int64(159), np.int64(160), np.int64(162), np.int64(169), np.int64(172), np.int64(173), np.int64(174), np.int64(175), np.int64(176), np.int64(177), np.int64(178), np.int64(179), np.int64(180), np.int64(181), np.int64(190), np.int64(193), np.int64(194), np.int64(195), np.int64(196), np.int64(197), np.int64(198), np.int64(199), np.int64(200), np.int64(207), np.int64(208), np.int64(209), np.int64(214), np.int64(215), np.int64(216), np.int64(217), np.int64(218), np.int64(219), np.int64(220), np.int64(221), np.int64(222), np.int64(223), np.int64(224), np.int64(225), np.int64(227), np.int64(228), np.int64(229), np.int64(234), np.int64(235), np.int64(236), np.int64(237), np.int64(238), np.int64(240), np.int64(241), np.int64(245), np.int64(246)], np.int32(2): [np.int64(134), np.int64(135), np.int64(136), np.int64(137), np.int64(138), np.int64(164), np.int64(165), np.int64(166), np.int64(167), np.int64(170), np.int64(187), np.int64(188), np.int64(189), np.int64(190), np.int64(207), np.int64(223)]}
[2026-11-13 13:40:58,994] output.py:arctic3d.log:write_dict:99: Writing Interface information to file retrieved_interfaces.out
[2026-11-13 13:40:58,995] output.py:arctic3d.log:write_dict:99: Writing Cluster information to file clustered_interfaces.out
[2026-11-13 13:40:58,995] output.py:arctic3d.log:write_dict:99: Writing Cluster information to file clustered_residues.out
[2026-11-13 13:40:58,995] output.py:arctic3d.log:output_pdb:217: Creating output pdb files...
[2026-11-13 13:40:58,995] output.py:arctic3d.log:output_pdb:228: Creating output file P00760-4xoj-A_cl1.pdb
[2026-11-13 13:40:58,997] output.py:arctic3d.log:output_pdb:228: Creating output file P00760-4xoj-A_cl2.pdb
[2026-11-13 13:40:58,998] output.py:arctic3d.log:make_plotly_plot:279: Creating interactive plot.
[2026-11-13 13:40:59,092] output.py:arctic3d.log:make_plotly_plot:316: Interactive plot sequence_probability.html successfully created.
[2026-11-13 13:40:59,093] cli.py:arctic3d:main:390: Running biological clustering by location...
[2026-11-13 13:40:59,093] output.py:arctic3d.log:create_output_folder:45: Creating output_directory arctic3d-localise-subcellular
##############################################
ARCTIC-3D run completed in 45.90 seconds.
To view report.html, serve the output directory:
  python -m http.server -d example/arctic3d-P00760
and open http://localhost:8000/report.html
##############################################