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| {"aligned_relative_path": "structures/experimental/cyp2c9/5k7k.cif.gz", "aligned_sha256": "b29f10bbad183beb8ecefa17254aa8a24797f58a5aa880d110661187a241f116", "anchor_coverage_by_block": {"CDE": 52, "H": 10, "IJK": 77, "KPRIME_MEANDER": 30, "L": 18}, "anchor_map_path": "analysis/canonical_alignment_20260731/anchor_map.csv", "anchor_map_sha256": "da1b9abdf6ee33ee5a566fe62b617a17153b8f088a58d9414ebb8b4a23a28bd1", "anchor_pairs": 187, "anchor_pairs_expected": 187, "anchor_rmsd_A": 2.088320527167192, "coordinate_action": "x_canonical = rotation_3x3 @ x_source + translation_A; one rigid transform applied to every atom", "gene": "CYP2C9", "invariant": "cyp3a4_1tqn_conserved_scaffold_ca_v1", "numbering_mode": "uniprot", "pdb_id": "5K7K", "reference_path": "intro/pdbs/CYP3A4/1TQN.pdb", "reference_sha256": "4370e1945a918d519510702fc504dd72fa2f9db0c56c5e6397a42fb30ae5d6f3", "rotation_3x3": [[-0.9543605964668267, -0.29770721671260936, -0.023796323848740697], [-0.11975971258186634, 0.30848533015351515, 0.9436601148307509], [-0.27359360949004535, 0.9034418709564594, -0.3300595743936241]], "source_path": "intro/pdbs/CYP2C9/5K7K.pdb", "source_sha256": "3709db36fb5d36107d373dd028756840eb1c373df808a26c30cb53c03317348f", "translation_A": [-9.730725202200695, -11.054153097619274, 25.910813206248783]} |
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| {"aligned_relative_path": "structures/experimental/cyp2d6/4wnu.cif.gz", "aligned_sha256": "11c4a5b4dd1d8b21c867a2b335aaf38bd7ef16845ac6e1ee5b9c864dba93a1d1", "anchor_coverage_by_block": {"CDE": 52, "H": 10, "IJK": 77, "KPRIME_MEANDER": 30, "L": 18}, "anchor_map_path": "analysis/canonical_alignment_20260731/anchor_map.csv", "anchor_map_sha256": "da1b9abdf6ee33ee5a566fe62b617a17153b8f088a58d9414ebb8b4a23a28bd1", "anchor_pairs": 187, "anchor_pairs_expected": 187, "anchor_rmsd_A": 1.9189007104589504, "coordinate_action": "x_canonical = rotation_3x3 @ x_source + translation_A; one rigid transform applied to every atom", "gene": "CYP2D6", "invariant": "cyp3a4_1tqn_conserved_scaffold_ca_v1", "numbering_mode": "uniprot", "pdb_id": "4WNU", "reference_path": "intro/pdbs/CYP3A4/1TQN.pdb", "reference_sha256": "4370e1945a918d519510702fc504dd72fa2f9db0c56c5e6397a42fb30ae5d6f3", "rotation_3x3": [[0.5741406487916235, 0.31691287897712606, 0.7549362506487306], [0.818383227186774, -0.19428272849119926, -0.5408355710096889], [-0.02472668324896735, 0.9283428507552826, -0.37090179641929577]], "source_path": "intro/pdbs/CYP2D6/4WNU.pdb", "source_sha256": "dbeb61cbf422118dedaae1204bcda6d406ecb3088faee9928ef3d85157143cbd", "translation_A": [-32.00011699957697, -21.719686534264433, -33.99147064085024]} |
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| {"aligned_relative_path": "structures/experimental/cyp3a4/1w0f.cif.gz", "aligned_sha256": "404e83e61900b0dc87404d638d89cdc5835ee1acd754ddbae24d520521b4cb44", "anchor_coverage_by_block": {"CDE": 52, "H": 10, "IJK": 77, "KPRIME_MEANDER": 30, "L": 18}, "anchor_map_path": "analysis/canonical_alignment_20260731/anchor_map.csv", "anchor_map_sha256": "da1b9abdf6ee33ee5a566fe62b617a17153b8f088a58d9414ebb8b4a23a28bd1", "anchor_pairs": 187, "anchor_pairs_expected": 187, "anchor_rmsd_A": 0.4824377507865535, "coordinate_action": "x_canonical = rotation_3x3 @ x_source + translation_A; one rigid transform applied to every atom", "gene": "CYP3A4", "invariant": "cyp3a4_1tqn_conserved_scaffold_ca_v1", "numbering_mode": "uniprot", "pdb_id": "1W0F", "reference_path": "intro/pdbs/CYP3A4/1TQN.pdb", "reference_sha256": "4370e1945a918d519510702fc504dd72fa2f9db0c56c5e6397a42fb30ae5d6f3", "rotation_3x3": [[-0.999714652591275, 0.004588717734543243, 0.02344263346680799], [0.005380556182556942, 0.99941321717713, 0.03382707416885195], [-0.023273654837020548, 0.033943556107328125, -0.9991527270589392]], "source_path": "intro/pdbs/CYP3A4/1W0F.pdb", "source_sha256": "071c7a303d62442f4815c21f90bdb34495bb663f58d264ab714a178b8977cb0e", "translation_A": [37.72271055959832, -101.7500814182266, -2.2456642655094843]} |
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| {"aligned_relative_path": "structures/experimental/cyp3a4/4k9u.cif.gz", "aligned_sha256": "30563c5b02c581b94f920c9b6f4f4263b1c720924091f1c15ee59b1abed9cb53", "anchor_coverage_by_block": {"CDE": 52, "H": 10, "IJK": 77, "KPRIME_MEANDER": 30, "L": 18}, "anchor_map_path": "analysis/canonical_alignment_20260731/anchor_map.csv", "anchor_map_sha256": "da1b9abdf6ee33ee5a566fe62b617a17153b8f088a58d9414ebb8b4a23a28bd1", "anchor_pairs": 187, "anchor_pairs_expected": 187, "anchor_rmsd_A": 0.9498749498845505, "coordinate_action": "x_canonical = rotation_3x3 @ x_source + translation_A; one rigid transform applied to every atom", "gene": "CYP3A4", "invariant": "cyp3a4_1tqn_conserved_scaffold_ca_v1", "numbering_mode": "uniprot", "pdb_id": "4K9U", "reference_path": "intro/pdbs/CYP3A4/1TQN.pdb", "reference_sha256": "4370e1945a918d519510702fc504dd72fa2f9db0c56c5e6397a42fb30ae5d6f3", "rotation_3x3": [[-0.9995245176436683, 0.027629092914604657, 0.013688383904181846], [0.02795457393841126, 0.9993165471286145, 0.024186368699455996], [-0.013010781110833784, 0.02455752144782233, -0.9996137492627969]], "source_path": "intro/pdbs/CYP3A4/4K9U.pdb", "source_sha256": "1c73a74a17b0540e72353810b557c971a3bb114b7d5f28adeadebeee936ab223", "translation_A": [-0.929013400868822, -50.45251625672624, -1.1955701323259262]} |
| {"aligned_relative_path": "structures/experimental/cyp3a4/4k9v.cif.gz", "aligned_sha256": "e73896f9f1d314f39385e1eddf87871cfb79438cbceab235ca9ef83ac7ac5d62", "anchor_coverage_by_block": {"CDE": 52, "H": 10, "IJK": 77, "KPRIME_MEANDER": 30, "L": 18}, "anchor_map_path": "analysis/canonical_alignment_20260731/anchor_map.csv", "anchor_map_sha256": "da1b9abdf6ee33ee5a566fe62b617a17153b8f088a58d9414ebb8b4a23a28bd1", "anchor_pairs": 187, "anchor_pairs_expected": 187, "anchor_rmsd_A": 0.478115289543855, "coordinate_action": "x_canonical = rotation_3x3 @ x_source + translation_A; one rigid transform applied to every atom", "gene": "CYP3A4", "invariant": "cyp3a4_1tqn_conserved_scaffold_ca_v1", "numbering_mode": "uniprot", "pdb_id": "4K9V", "reference_path": "intro/pdbs/CYP3A4/1TQN.pdb", "reference_sha256": "4370e1945a918d519510702fc504dd72fa2f9db0c56c5e6397a42fb30ae5d6f3", "rotation_3x3": [[0.9995413996294435, 0.023449301653488974, -0.0191603934922066], [-0.023783248292219953, 0.9995658594904863, -0.017391079371843376], [0.018744266522943292, 0.017838800212200693, 0.9996651587804324]], "source_path": "intro/pdbs/CYP3A4/4K9V.pdb", "source_sha256": "58fbe9a3ec00378756398358b51dec1e7ceee5a8cb00293a38198b4a3dd65c38", "translation_A": [-39.600647543768105, -49.665808821810586, -1.7369927155588805]} |
| {"aligned_relative_path": "structures/experimental/cyp3a4/4k9w.cif.gz", "aligned_sha256": "74490e3d1b4776b63907415cbf2472b926f2f8620e91d10cecc7cd1982091114", "anchor_coverage_by_block": {"CDE": 52, "H": 10, "IJK": 77, "KPRIME_MEANDER": 30, "L": 18}, "anchor_map_path": "analysis/canonical_alignment_20260731/anchor_map.csv", "anchor_map_sha256": "da1b9abdf6ee33ee5a566fe62b617a17153b8f088a58d9414ebb8b4a23a28bd1", "anchor_pairs": 187, "anchor_pairs_expected": 187, "anchor_rmsd_A": 1.1820225336497714, "coordinate_action": "x_canonical = rotation_3x3 @ x_source + translation_A; one rigid transform applied to every atom", "gene": "CYP3A4", "invariant": "cyp3a4_1tqn_conserved_scaffold_ca_v1", "numbering_mode": "uniprot", "pdb_id": "4K9W", "reference_path": "intro/pdbs/CYP3A4/1TQN.pdb", "reference_sha256": "4370e1945a918d519510702fc504dd72fa2f9db0c56c5e6397a42fb30ae5d6f3", "rotation_3x3": [[0.8815909630051657, -0.41940949501880526, -0.21654803032051811], [0.4437066599541128, 0.892848203489966, 0.07711345820999396], [0.1610024032739581, -0.16406633113716607, 0.9732216937199863]], "source_path": "intro/pdbs/CYP3A4/4K9W.pdb", "source_sha256": "08eca5861541544931cf26338aaf9e597860eb0b55430d4290fe52351b9bc67d", "translation_A": [-62.33260960238895, -19.394385115318045, -46.08689133604696]} |
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| {"aligned_relative_path": "structures/experimental/cyp3a4/5a1r.cif.gz", "aligned_sha256": "c26d4b79b2c79793284cbf193d64e5a37ea562f2d1bc25ff3f3d1bab5cf90fb3", "anchor_coverage_by_block": {"CDE": 52, "H": 10, "IJK": 77, "KPRIME_MEANDER": 30, "L": 18}, "anchor_map_path": "analysis/canonical_alignment_20260731/anchor_map.csv", "anchor_map_sha256": "da1b9abdf6ee33ee5a566fe62b617a17153b8f088a58d9414ebb8b4a23a28bd1", "anchor_pairs": 187, "anchor_pairs_expected": 187, "anchor_rmsd_A": 0.45016600297853543, "coordinate_action": "x_canonical = rotation_3x3 @ x_source + translation_A; one rigid transform applied to every atom", "gene": "CYP3A4", "invariant": "cyp3a4_1tqn_conserved_scaffold_ca_v1", "numbering_mode": "uniprot", "pdb_id": "5A1R", "reference_path": "intro/pdbs/CYP3A4/1TQN.pdb", "reference_sha256": "4370e1945a918d519510702fc504dd72fa2f9db0c56c5e6397a42fb30ae5d6f3", "rotation_3x3": [[0.99977104620455, 0.007756675209864282, -0.019942145339649827], [-0.008470891698349877, 0.9993164993227157, -0.03598302620998424], [0.019649406222424767, 0.03614371551296668, 0.9991534079729822]], "source_path": "intro/pdbs/CYP3A4/5A1R.pdb", "source_sha256": "bffd3683c4715b517a740625986c9ef9e54b6a78bee42c2f2aabf999cfcee88e", "translation_A": [-0.17939638662444146, -0.2834990533017461, 0.35807481461671387]} |
| {"aligned_relative_path": "structures/experimental/cyp3a4/5g5j.cif.gz", "aligned_sha256": "994b08ea7f619e77b9fb36c55a5f07b8a9e2877e789c5e63bcef6ee5e4e80fde", "anchor_coverage_by_block": {"CDE": 52, "H": 10, "IJK": 77, "KPRIME_MEANDER": 30, "L": 18}, "anchor_map_path": "analysis/canonical_alignment_20260731/anchor_map.csv", "anchor_map_sha256": "da1b9abdf6ee33ee5a566fe62b617a17153b8f088a58d9414ebb8b4a23a28bd1", "anchor_pairs": 187, "anchor_pairs_expected": 187, "anchor_rmsd_A": 0.43843834883167376, "coordinate_action": "x_canonical = rotation_3x3 @ x_source + translation_A; one rigid transform applied to every atom", "gene": "CYP3A4", "invariant": "cyp3a4_1tqn_conserved_scaffold_ca_v1", "numbering_mode": "uniprot", "pdb_id": "5G5J", "reference_path": "intro/pdbs/CYP3A4/1TQN.pdb", "reference_sha256": "4370e1945a918d519510702fc504dd72fa2f9db0c56c5e6397a42fb30ae5d6f3", "rotation_3x3": [[-0.9998791805920644, -0.0010986038843900003, 0.01550539544952959], [-0.0005364746088702771, 0.9993440050660969, 0.03621148620875474], [-0.015535006068074961, 0.036198792907471536, -0.9992238542881705]], "source_path": "intro/pdbs/CYP3A4/5G5J.pdb", "source_sha256": "fd5e4fddd986e6416c9c5320b18926d76585460bde7bf24607d910da5c272a49", "translation_A": [-0.558099191753513, -0.20228209775660844, -0.07420226979619216]} |
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| {"aligned_relative_path": "structures/experimental/cyp3a4/6ma7.cif.gz", "aligned_sha256": "dca78cf37975b1fe28d5515051bf44f60ed4a6903ac1254c9eeee42d689a9d4a", "anchor_coverage_by_block": {"CDE": 52, "H": 10, "IJK": 77, "KPRIME_MEANDER": 30, "L": 18}, "anchor_map_path": "analysis/canonical_alignment_20260731/anchor_map.csv", "anchor_map_sha256": "da1b9abdf6ee33ee5a566fe62b617a17153b8f088a58d9414ebb8b4a23a28bd1", "anchor_pairs": 187, "anchor_pairs_expected": 187, "anchor_rmsd_A": 0.3873871225247199, "coordinate_action": "x_canonical = rotation_3x3 @ x_source + translation_A; one rigid transform applied to every atom", "gene": "CYP3A4", "invariant": "cyp3a4_1tqn_conserved_scaffold_ca_v1", "numbering_mode": "uniprot", "pdb_id": "6MA7", "reference_path": "intro/pdbs/CYP3A4/1TQN.pdb", "reference_sha256": "4370e1945a918d519510702fc504dd72fa2f9db0c56c5e6397a42fb30ae5d6f3", "rotation_3x3": [[0.9999639574933914, 0.006686574038003992, 0.005231963473623404], [-0.0065445504357166204, 0.9996218755113704, -0.02670720611978352], [-0.005408564851178505, 0.026672002676299572, 0.99962960725435]], "source_path": "intro/pdbs/CYP3A4/6MA7.pdb", "source_sha256": "ca0ba4416c692ad958e8cefc108333fbaba3322a2c4d3401fd92ed1105bffd10", "translation_A": [0.06931464579321123, -0.0748757003654319, -0.9524464748641357]} |
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| {"aligned_relative_path": "structures/experimental/cyp3a4/6ung.cif.gz", "aligned_sha256": "9c2defc52b68c637d3ee72189317e72efdfe24257c73fc92381bc458408c183a", "anchor_coverage_by_block": {"CDE": 52, "H": 10, "IJK": 77, "KPRIME_MEANDER": 30, "L": 18}, "anchor_map_path": "analysis/canonical_alignment_20260731/anchor_map.csv", "anchor_map_sha256": "da1b9abdf6ee33ee5a566fe62b617a17153b8f088a58d9414ebb8b4a23a28bd1", "anchor_pairs": 187, "anchor_pairs_expected": 187, "anchor_rmsd_A": 0.547396018605406, "coordinate_action": "x_canonical = rotation_3x3 @ x_source + translation_A; one rigid transform applied to every atom", "gene": "CYP3A4", "invariant": "cyp3a4_1tqn_conserved_scaffold_ca_v1", "numbering_mode": "uniprot", "pdb_id": "6UNG", "reference_path": "intro/pdbs/CYP3A4/1TQN.pdb", "reference_sha256": "4370e1945a918d519510702fc504dd72fa2f9db0c56c5e6397a42fb30ae5d6f3", "rotation_3x3": [[0.9996889377591839, 0.020664829985415425, -0.013963972342707713], [-0.02105993348933465, 0.9993642926382406, -0.028766122454955793], [0.013360648312818737, 0.02905125472922977, 0.9994886280870424]], "source_path": "intro/pdbs/CYP3A4/6UNG.pdb", "source_sha256": "1dabcaeb2e65a075de27a80b2d4a3e2c5ad711e93beb2f86d6866e45c40bd97b", "translation_A": [0.404373683750908, -0.13680006890979257, -0.4798662111018004]} |
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| {"aligned_relative_path": "structures/experimental/cyp3a4/8exb.cif.gz", "aligned_sha256": "c2fa11af2b928ffa4314f392c76ef6c5bf3affa75fe0cec4f98a3d4f99ddebe8", "anchor_coverage_by_block": {"CDE": 52, "H": 9, "IJK": 77, "KPRIME_MEANDER": 30, "L": 18}, "anchor_map_path": "analysis/canonical_alignment_20260731/anchor_map.csv", "anchor_map_sha256": "da1b9abdf6ee33ee5a566fe62b617a17153b8f088a58d9414ebb8b4a23a28bd1", "anchor_pairs": 186, "anchor_pairs_expected": 187, "anchor_rmsd_A": 0.8224611460649817, "coordinate_action": "x_canonical = rotation_3x3 @ x_source + translation_A; one rigid transform applied to every atom", "gene": "CYP3A4", "invariant": "cyp3a4_1tqn_conserved_scaffold_ca_v1", "numbering_mode": "uniprot", "pdb_id": "8EXB", "reference_path": "intro/pdbs/CYP3A4/1TQN.pdb", "reference_sha256": "4370e1945a918d519510702fc504dd72fa2f9db0c56c5e6397a42fb30ae5d6f3", "rotation_3x3": [[-0.9992837594916414, -0.03517650268908097, -0.013949253557669059], [0.035371472482893504, -0.9992763676506394, -0.013985706608371864], [-0.013447191180427157, -0.014469095117133271, 0.9998048901339945]], "source_path": "intro/pdbs/CYP3A4/8EXB.pdb", "source_sha256": "5b9c2e6b71e23cd53b2dd4edcfb33e99f0ea77df7ee73b29d22451e2b2894225", "translation_A": [-39.79009461535336, -48.87119206564469, -1.4815007714531507]} |
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| {"aligned_relative_path": "structures/experimental/cyp3a4/8so2.cif.gz", "aligned_sha256": "7bbe63e85970c5ad514f596c93d9fc177bea6fe53a646bfa13fcefed77fe8d52", "anchor_coverage_by_block": {"CDE": 52, "H": 10, "IJK": 77, "KPRIME_MEANDER": 30, "L": 18}, "anchor_map_path": "analysis/canonical_alignment_20260731/anchor_map.csv", "anchor_map_sha256": "da1b9abdf6ee33ee5a566fe62b617a17153b8f088a58d9414ebb8b4a23a28bd1", "anchor_pairs": 187, "anchor_pairs_expected": 187, "anchor_rmsd_A": 0.37851776879912225, "coordinate_action": "x_canonical = rotation_3x3 @ x_source + translation_A; one rigid transform applied to every atom", "gene": "CYP3A4", "invariant": "cyp3a4_1tqn_conserved_scaffold_ca_v1", "numbering_mode": "uniprot", "pdb_id": "8SO2", "reference_path": "intro/pdbs/CYP3A4/1TQN.pdb", "reference_sha256": "4370e1945a918d519510702fc504dd72fa2f9db0c56c5e6397a42fb30ae5d6f3", "rotation_3x3": [[-0.9999888270935847, -0.0027208528427477164, 0.00386557211866736], [0.002661961930267963, -0.9998815516724069, -0.015159042973168271], [0.003906359773281521, -0.015148583596780979, 0.9998776228960886]], "source_path": "intro/pdbs/CYP3A4/8SO2.pdb", "source_sha256": "9d97c7fb1660338164b892d17dca8cd370ca64ce6ccf1e966cae13a48376009b", "translation_A": [-38.92600339381377, -50.17488665569008, -0.4414997191132013]} |
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| {"aligned_relative_path": "structures/experimental/cyp3a4/9bv5.cif.gz", "aligned_sha256": "6352d1fe5aa42e1a281ca344981900ad27bb4bde5c6e04c60d15f66ccc5b47e3", "anchor_coverage_by_block": {"CDE": 52, "H": 10, "IJK": 77, "KPRIME_MEANDER": 30, "L": 18}, "anchor_map_path": "analysis/canonical_alignment_20260731/anchor_map.csv", "anchor_map_sha256": "da1b9abdf6ee33ee5a566fe62b617a17153b8f088a58d9414ebb8b4a23a28bd1", "anchor_pairs": 187, "anchor_pairs_expected": 187, "anchor_rmsd_A": 0.3840357142637375, "coordinate_action": "x_canonical = rotation_3x3 @ x_source + translation_A; one rigid transform applied to every atom", "gene": "CYP3A4", "invariant": "cyp3a4_1tqn_conserved_scaffold_ca_v1", "numbering_mode": "uniprot", "pdb_id": "9BV5", "reference_path": "intro/pdbs/CYP3A4/1TQN.pdb", "reference_sha256": "4370e1945a918d519510702fc504dd72fa2f9db0c56c5e6397a42fb30ae5d6f3", "rotation_3x3": [[0.9999982550770488, 0.0018665853699232487, -7.551102499429757e-05], [-0.001866907024438768, 0.9999880819353891, -0.004511168955290296], [6.708964307579665e-05, 0.004511302055711052, 0.9999898217745726]], "source_path": "intro/pdbs/CYP3A4/9BV5.cif", "source_sha256": "2da69e4e3cf8c94a91db7039b0e5d4342c28527402e072dc10f10689ce13825c", "translation_A": [-0.3372565590958807, 0.12909999583563092, -0.21610294122042184]} |
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| {"aligned_relative_path": "structures/experimental/cyp3a4/9cow.cif.gz", "aligned_sha256": "a19cee118e8013788e2189213b585fad4e802ba0470d9cb9765783f9bda9ee18", "anchor_coverage_by_block": {"CDE": 52, "H": 9, "IJK": 77, "KPRIME_MEANDER": 30, "L": 18}, "anchor_map_path": "analysis/canonical_alignment_20260731/anchor_map.csv", "anchor_map_sha256": "da1b9abdf6ee33ee5a566fe62b617a17153b8f088a58d9414ebb8b4a23a28bd1", "anchor_pairs": 186, "anchor_pairs_expected": 187, "anchor_rmsd_A": 1.1445273929869446, "coordinate_action": "x_canonical = rotation_3x3 @ x_source + translation_A; one rigid transform applied to every atom", "gene": "CYP3A4", "invariant": "cyp3a4_1tqn_conserved_scaffold_ca_v1", "numbering_mode": "uniprot", "pdb_id": "9COW", "reference_path": "intro/pdbs/CYP3A4/1TQN.pdb", "reference_sha256": "4370e1945a918d519510702fc504dd72fa2f9db0c56c5e6397a42fb30ae5d6f3", "rotation_3x3": [[-0.9989426833651632, -0.04555631910886246, 0.006175527545037086], [0.045183082065105275, -0.9976749194042852, -0.051021998067024815], [0.008485543371286878, -0.050689022291863034, 0.9986784360207189]], "source_path": "intro/pdbs/CYP3A4/9COW.cif", "source_sha256": "827d6f6e4627eae504fcd4b2b7b0cd1077d4e440a7a552207580139a326753da", "translation_A": [-39.01913957571874, -48.71993230090778, -4.240225523656472]} |
| {"aligned_relative_path": "structures/experimental/cyp3a4/9cox.cif.gz", "aligned_sha256": "2b885951738d6335d106464e93f399ebec0ba72058abe0f362c41fc313025448", "anchor_coverage_by_block": {"CDE": 52, "H": 8, "IJK": 77, "KPRIME_MEANDER": 30, "L": 18}, "anchor_map_path": "analysis/canonical_alignment_20260731/anchor_map.csv", "anchor_map_sha256": "da1b9abdf6ee33ee5a566fe62b617a17153b8f088a58d9414ebb8b4a23a28bd1", "anchor_pairs": 185, "anchor_pairs_expected": 187, "anchor_rmsd_A": 0.7745017425549727, "coordinate_action": "x_canonical = rotation_3x3 @ x_source + translation_A; one rigid transform applied to every atom", "gene": "CYP3A4", "invariant": "cyp3a4_1tqn_conserved_scaffold_ca_v1", "numbering_mode": "uniprot", "pdb_id": "9COX", "reference_path": "intro/pdbs/CYP3A4/1TQN.pdb", "reference_sha256": "4370e1945a918d519510702fc504dd72fa2f9db0c56c5e6397a42fb30ae5d6f3", "rotation_3x3": [[0.999919652525463, 0.0005097988288841319, -0.012666041153835232], [-0.0010076861010754326, 0.9992256261462706, -0.03933360676717304], [0.012636180676069692, 0.03934320980483133, 0.9991458546079115]], "source_path": "intro/pdbs/CYP3A4/9COX.cif", "source_sha256": "3ee01c42ad19d27f46f33e62950f0f288cea7b350e610b368f806d6e8d5807d6", "translation_A": [-0.386975077363223, 0.07678836749247608, -1.178657118943466]} |
| {"aligned_relative_path": "structures/experimental/cyp3a4/9coy.cif.gz", "aligned_sha256": "227ef35cf5189ca7a9e06a844ba4398ffc70676ed729f0d0a7e6f251e5378744", "anchor_coverage_by_block": {"CDE": 52, "H": 10, "IJK": 77, "KPRIME_MEANDER": 30, "L": 18}, "anchor_map_path": "analysis/canonical_alignment_20260731/anchor_map.csv", "anchor_map_sha256": "da1b9abdf6ee33ee5a566fe62b617a17153b8f088a58d9414ebb8b4a23a28bd1", "anchor_pairs": 187, "anchor_pairs_expected": 187, "anchor_rmsd_A": 0.5385655339399065, "coordinate_action": "x_canonical = rotation_3x3 @ x_source + translation_A; one rigid transform applied to every atom", "gene": "CYP3A4", "invariant": "cyp3a4_1tqn_conserved_scaffold_ca_v1", "numbering_mode": "uniprot", "pdb_id": "9COY", "reference_path": "intro/pdbs/CYP3A4/1TQN.pdb", "reference_sha256": "4370e1945a918d519510702fc504dd72fa2f9db0c56c5e6397a42fb30ae5d6f3", "rotation_3x3": [[0.9994886372897419, 0.026498478152167604, -0.01789677580777164], [-0.026736770203360724, 0.9995552295744774, -0.013209396254442122], [0.017538786953128483, 0.013681143443926017, 0.9997525780243227]], "source_path": "intro/pdbs/CYP3A4/9COY.cif", "source_sha256": "071018e741b43001027038587b041927c3caa9b66cc8a4c07803f414df23c049", "translation_A": [0.41897247194233067, -0.04962260141591912, 0.05077776338595541]} |
| {"aligned_relative_path": "structures/experimental/cyp3a4/9gk1.cif.gz", "aligned_sha256": "b733882ae86e3b2ca71ca2b7c14eaa2958dfa82898e62adb13c1e8bb79036fb0", "anchor_coverage_by_block": {"CDE": 52, "H": 10, "IJK": 77, "KPRIME_MEANDER": 30, "L": 18}, "anchor_map_path": "analysis/canonical_alignment_20260731/anchor_map.csv", "anchor_map_sha256": "da1b9abdf6ee33ee5a566fe62b617a17153b8f088a58d9414ebb8b4a23a28bd1", "anchor_pairs": 187, "anchor_pairs_expected": 187, "anchor_rmsd_A": 0.35111615458403445, "coordinate_action": "x_canonical = rotation_3x3 @ x_source + translation_A; one rigid transform applied to every atom", "gene": "CYP3A4", "invariant": "cyp3a4_1tqn_conserved_scaffold_ca_v1", "numbering_mode": "uniprot", "pdb_id": "9GK1", "reference_path": "intro/pdbs/CYP3A4/1TQN.pdb", "reference_sha256": "4370e1945a918d519510702fc504dd72fa2f9db0c56c5e6397a42fb30ae5d6f3", "rotation_3x3": [[0.9997755984801638, 0.0024311682856977745, -0.021043813922322022], [-0.0030628617132486442, 0.9995440640773042, -0.030038023336281833], [0.02096119180190409, 0.030095737050155908, 0.9993272112024429]], "source_path": "intro/pdbs/CYP3A4/9GK1.pdb", "source_sha256": "e2ebff705624b4f5b0c66151fbb04b467b8caf1f57386ccd22d7d763edf9742d", "translation_A": [0.7562640045800322, 0.08150339335864487, 0.5259071105856563]} |
| {"aligned_relative_path": "structures/experimental/cyp3a4/9ms1.cif.gz", "aligned_sha256": "f2b0514a4ef71a8c6e47a1193aeb6add098988a20d4e9585853e87a071a8e925", "anchor_coverage_by_block": {"CDE": 52, "H": 10, "IJK": 77, "KPRIME_MEANDER": 30, "L": 18}, "anchor_map_path": "analysis/canonical_alignment_20260731/anchor_map.csv", "anchor_map_sha256": "da1b9abdf6ee33ee5a566fe62b617a17153b8f088a58d9414ebb8b4a23a28bd1", "anchor_pairs": 187, "anchor_pairs_expected": 187, "anchor_rmsd_A": 0.6755691138955914, "coordinate_action": "x_canonical = rotation_3x3 @ x_source + translation_A; one rigid transform applied to every atom", "gene": "CYP3A4", "invariant": "cyp3a4_1tqn_conserved_scaffold_ca_v1", "numbering_mode": "uniprot", "pdb_id": "9MS1", "reference_path": "intro/pdbs/CYP3A4/1TQN.pdb", "reference_sha256": "4370e1945a918d519510702fc504dd72fa2f9db0c56c5e6397a42fb30ae5d6f3", "rotation_3x3": [[0.9999412365399523, -0.005222265410634942, 0.009500074259278804], [-0.005691179389183538, -0.9987319596159139, 0.05002082885075344], [0.009226805737147686, -0.05007195608059565, -0.9987029915195765]], "source_path": "intro/pdbs/CYP3A4/9MS1.cif", "source_sha256": "2729c5dca582f163f42d8d96d22f84fe5443c5e9f2fd94ff54af6eb8f1fc4ccd", "translation_A": [-38.01579552521928, 0.24720763121765543, -2.0179620919649945]} |
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