UNPKG

@rcsb/rcsb-saguaro-3d

Version:
1,412 lines (1,411 loc) 67.5 kB
"use strict"; Object.defineProperty(exports, "__esModule", { value: true }); exports.loadParamsProvider = exports.dataProvider = void 0; const tslib_1 = require("tslib"); const GqlTypes_1 = require("@rcsb/rcsb-api-tools/lib/RcsbGraphQL/Types/Borrego/GqlTypes"); const AlignmentReference_1 = require("./AlignmentReference"); const MolstarActionManager_1 = require("../../../RcsbFvStructure/StructureViewers/MolstarViewer/MolstarActionManager"); const AlignmentTrajectoryPresetProvider_1 = require("../../../RcsbFvStructure/StructureViewers/MolstarViewer/TrajectoryPresetProvider/AlignmentTrajectoryPresetProvider"); const FlexibleAlignmentTrajectoryPresetProvider_1 = require("../../../RcsbFvStructure/StructureViewers/MolstarViewer/TrajectoryPresetProvider/FlexibleAlignmentTrajectoryPresetProvider"); const TagDelimiter_1 = require("@rcsb/rcsb-api-tools/lib/RcsbUtils/TagDelimiter"); const alignment = { "info": { "uuid": "e6e216de-c650-4ad5-bd81-45e75dfbe180", "status": "COMPLETE" }, "meta": { "alignment_mode": "pairwise", "alignment_method": "fatcat-rigid" }, "results": [ { "structures": [ { "entry_id": "101M", "selection": { "asym_id": "A" } }, { "entry_id": "1ASH", "selection": { "asym_id": "A" } } ], "structure_alignment": [ { "regions": [ [ { "asym_id": "A", "beg_seq_id": 4, "beg_index": 0, "length": 47 }, { "asym_id": "A", "beg_seq_id": 52, "beg_index": 52, "length": 70 }, { "asym_id": "A", "beg_seq_id": 124, "beg_index": 128, "length": 22 } ], [ { "asym_id": "A", "beg_seq_id": 1, "beg_index": 0, "length": 17 }, { "asym_id": "A", "beg_seq_id": 22, "beg_index": 21, "length": 61 }, { "asym_id": "A", "beg_seq_id": 86, "beg_index": 86, "length": 14 }, { "asym_id": "A", "beg_seq_id": 101, "beg_index": 101, "length": 47 } ] ], "transformations": [ [ 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 1 ], [ -0.7671995717115603, -0.5623954843039239, 0.30840904072376607, 0, -0.6011420900233072, 0.4627787494512096, -0.6515090303739346, 0, 0.2236805864799372, -0.6852351043918645, -0.6931232552303105, 0, 37.48154540719762, 28.2044983569036, -7.345065372687518, 1 ] ], "summary": { "scores": [ { "value": 1.95, "type": "RMSD" }, { "value": 330.13, "type": "similarity-score" } ], "n_aln_residue_pairs": 139 } } ], "sequence_alignment": [ { "regions": [ { "asym_id": "A", "beg_seq_id": 4, "beg_index": 0, "length": 17 }, { "asym_id": "A", "beg_seq_id": 21, "beg_index": 21, "length": 62 }, { "asym_id": "A", "beg_seq_id": 83, "beg_index": 86, "length": 14 }, { "asym_id": "A", "beg_seq_id": 97, "beg_index": 101, "length": 49 } ], "gaps": [ { "beg_index": 17, "length": 4 }, { "beg_index": 83, "length": 3 }, { "beg_index": 100, "length": 1 } ] }, { "regions": [ { "asym_id": "A", "beg_seq_id": 1, "beg_index": 0, "length": 51 }, { "asym_id": "A", "beg_seq_id": 52, "beg_index": 52, "length": 74 }, { "asym_id": "A", "beg_seq_id": 126, "beg_index": 128, "length": 22 } ], "gaps": [ { "beg_index": 51, "length": 1 }, { "beg_index": 126, "length": 2 } ] } ], "summary": { "scores": [ { "value": 0.15, "type": "sequence-identity" }, { "value": 1.94, "type": "RMSD" }, { "value": 0.79, "type": "TM-score" }, { "value": 330.13, "type": "similarity-score" }, { "value": 0.34, "type": "sequence-similarity" } ], "n_aln_residue_pairs": 139, "n_modeled_residues": [ 154, 147 ], "seq_aln_len": 150, "aln_coverage": [ 90, 95 ] } }, { "structures": [ { "entry_id": "101M", "selection": { "asym_id": "A" } }, { "entry_id": "4HHB", "selection": { "asym_id": "A" } } ], "structure_alignment": [ { "regions": [ [ { "asym_id": "A", "beg_seq_id": 2, "beg_index": 0, "length": 48 }, { "asym_id": "A", "beg_seq_id": 56, "beg_index": 54, "length": 93 } ], [ { "asym_id": "A", "beg_seq_id": 1, "beg_index": 0, "length": 141 } ] ], "transformations": [ [ 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 1 ], [ 0.5659010881349978, 0.8158255303919226, 0.11909938038614465, 0, 0.49060456462775587, -0.21711201635870375, -0.8439013766543271, 0, -0.6626183815847819, 0.5359954069890864, -0.5231116554547112, 0, 16.44633740010974, 7.329736404913569, 7.069768946221407, 1 ] ], "summary": { "scores": [ { "value": 1.41, "type": "RMSD" }, { "value": 360.42, "type": "similarity-score" } ], "n_aln_residue_pairs": 141 } } ], "sequence_alignment": [ { "regions": [ { "asym_id": "A", "beg_seq_id": 2, "beg_index": 0, "length": 147 } ] }, { "regions": [ { "asym_id": "A", "beg_seq_id": 1, "beg_index": 0, "length": 48 }, { "asym_id": "A", "beg_seq_id": 49, "beg_index": 54, "length": 93 } ], "gaps": [ { "beg_index": 48, "length": 6 } ] } ], "summary": { "scores": [ { "value": 1.63, "type": "RMSD" }, { "value": 360.42, "type": "similarity-score" }, { "value": 0.26, "type": "sequence-identity" }, { "value": 0.83, "type": "TM-score" }, { "value": 0.4, "type": "sequence-similarity" } ], "n_aln_residue_pairs": 141, "n_modeled_residues": [ 154, 141 ], "seq_aln_len": 147, "aln_coverage": [ 92, 100 ] } }, { "structures": [ { "entry_id": "101M", "selection": { "asym_id": "A" } }, { "entry_id": "3IA3", "selection": { "asym_id": "A" } } ], "structure_alignment": [ { "regions": [ [ { "asym_id": "A", "beg_seq_id": 6, "beg_index": 0, "length": 2 }, { "asym_id": "A", "beg_seq_id": 9, "beg_index": 3, "length": 10 }, { "asym_id": "A", "beg_seq_id": 70, "beg_index": 64, "length": 7 }, { "asym_id": "A", "beg_seq_id": 90, "beg_index": 84, "length": 64 } ], [ { "asym_id": "A", "beg_seq_id": 2, "beg_index": 0, "length": 2 }, { "asym_id": "A", "beg_seq_id": 5, "beg_index": 3, "length": 28 }, { "asym_id": "A", "beg_seq_id": 37, "beg_index": 99, "length": 23 }, { "asym_id": "A", "beg_seq_id": 62, "beg_index": 124, "length": 30 } ] ], "transformations": [ [ 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 1 ], [ 0.5053504853280419, -0.8551690322642134, -0.11535516128462073, 0, 0.8381805444620154, 0.45468307113605794, 0.3011920976845868, 0, -0.20512011569826996, -0.248896024633924, 0.946560355739325, 0, 54.00745824109328, 20.631415015987336, 1.2186542597577539, 1 ] ], "summary": { "scores": [ { "value": 10.35, "type": "RMSD" }, { "value": 163.43, "type": "similarity-score" } ], "n_aln_residue_pairs": 83 } } ], "sequence_alignment": [ { "regions": [ { "asym_id": "A", "beg_seq_id": 6, "beg_index": 0, "length": 95 }, { "asym_id": "A", "beg_seq_id": 101, "beg_index": 99, "length": 23 }, { "asym_id": "A", "beg_seq_id": 124, "beg_index": 124, "length": 30 } ], "gaps": [ { "beg_index": 95, "length": 4 }, { "beg_index": 122, "length": 2 } ] }, { "regions": [ { "asym_id": "A", "beg_seq_id": 2, "beg_index": 0, "length": 13 }, { "asym_id": "A", "beg_seq_id": 15, "beg_index": 64, "length": 7 }, { "asym_id": "A", "beg_seq_id": 22, "beg_index": 84, "length": 70 } ], "gaps": [ { "beg_index": 13, "length": 51 }, { "beg_index": 71, "length": 13 } ] } ], "summary": { "scores": [ { "value": 0.38, "type": "TM-score" }, { "value": 4.06, "type": "RMSD" }, { "value": 163.43, "type": "similarity-score" }, { "value": 0.13, "type": "sequence-identity" }, { "value": 0.29, "type": "sequence-similarity" } ], "n_aln_residue_pairs": 83, "n_modeled_residues": [ 154, 90 ], "seq_aln_len": 154, "aln_coverage": [ 54, 92 ] } }, { "structures": [ { "entry_id": "101M", "selection": { "asym_id": "A" } }, { "entry_id": "3IA3", "selection": { "asym_id": "B" } } ], "structure_alignment": [ { "regions": [ [ { "asym_id": "A", "beg_seq_id": 1, "beg_index": 0, "length": 18 }, { "asym_id": "A", "beg_seq_id": 22, "beg_index": 22, "length": 30 }, { "asym_id": "A", "beg_seq_id": 58, "beg_index": 58, "length": 85 } ], [ { "asym_id": "B", "beg_seq_id": 6, "beg_index": 0, "length": 4 }, { "asym_id": "B", "beg_seq_id": 11, "beg_index": 5, "length": 129 } ] ], "transformations": [ [ 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 1 ], [ -0.42302765123934255, -0.016759653799444912, 0.9059617653584768, 0, 0.36791779101822186, 0.910522894182729, 0.18863869757125365, 0, -0.8280604478775673, 0.41311883662407556, -0.3790101865216464, 0, 80.69972926533072, -0.278244322992661, 6.001546353485595, 1 ] ], "summary": { "scores": [ { "value": 278.41, "type": "similarity-score" }, { "value": 2.79, "type": "RMSD" } ], "n_aln_residue_pairs": 133 } } ], "sequence_alignment": [ { "regions": [ { "asym_id": "A", "beg_seq_id": 1, "beg_index": 0, "length": 4 }, { "asym_id": "A", "beg_seq_id": 5, "beg_index": 5, "length": 138 } ], "gaps": [ { "beg_index": 4, "length": 1 } ] }, { "regions": [ { "asym_id": "B", "beg_seq_id": 6, "beg_index": 0, "length": 19 }, { "asym_id": "B", "beg_seq_id": 25, "beg_index": 22, "length": 30 }, { "asym_id": "B", "beg_seq_id": 55, "beg_index": 58, "length": 85 } ], "gaps": [ { "beg_index": 19, "length": 3 }, { "beg_index": 52, "length": 6 } ] } ], "summary": { "scores": [ { "value": 278.41, "type": "similarity-score" }, { "value": 0.35, "type": "sequence-similarity" }, { "value": 3.03, "type": "RMSD" }, { "value": 0.66, "type": "TM-score" }, { "value": 0.2, "type": "sequence-identity" } ], "n_aln_residue_pairs": 133, "n_modeled_residues": [ 154, 135 ], "seq_aln_len": 143, "aln_coverage": [ 86, 99 ] } } ] }; const flexAlignment = { "info": { "uuid": "c74f1b38-ad36-4c24-88ea-c947eba2b965", "status": "COMPLETE" }, "meta": { "alignment_mode": "pairwise", "alignment_method": "fatcat-flexible" }, "results": [ { "structures": [ { "entry_id": "1SR6", "selection": { "asym_id": "A" } }, { "entry_id": "1KWO", "selection": { "asym_id": "A" } } ], "structure_alignment": [ { "regions": [ [ { "asym_id": "A", "beg_seq_id": 6, "beg_index": 0, "length": 18 }, { "asym_id": "A", "beg_seq_id": 26, "beg_index": 20, "length": 11 }, { "asym_id": "A", "beg_seq_id": 38, "beg_index": 32, "length": 163 }, { "asym_id": "A", "beg_seq_id": 213, "beg_index": 198, "length": 194 }, { "asym_id": "A", "beg_seq_id": 410, "beg_index": 395, "length": 153 }, { "asym_id": "A", "beg_seq_id": 566, "beg_index": 551, "length": 3 }, { "asym_id": "A", "beg_seq_id": 572, "beg_index": 557, "length": 54 }, { "asym_id": "A", "beg_seq_id": 643, "beg_index": 612, "length": 51 } ], [ { "asym_id": "A", "beg_seq_id": 6, "beg_index": 0, "length": 18 }, { "asym_id": "A", "beg_seq_id": 27, "beg_index": 20, "length": 174 }, { "asym_id": "A", "beg_seq_id": 213, "beg_index": 198, "length": 194 }, { "asym_id": "A", "beg_seq_id": 410, "beg_index": 395, "length": 153 }, { "asym_id": "A", "beg_seq_id": 569, "beg_index": 551, "length": 56 }, { "asym_id": "A", "beg_seq_id": 642, "beg_index": 610, "length": 52 } ] ], "transformations": [ [ 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 1 ], [ 0.5748680038797991, -0.6350218438618033, -0.5160174763839023, 0, 0.4813145452568598, 0.7724272890898242, -0.4143578062418128, 0, 0.6617122385443976, -0.010165672024066708, 0.7496889838278681, 0, -3.505312472354479, -5.385563704760273, 52.46070687230462, 1 ] ], "summary": { "scores": [ { "value": 1772.68, "type": "similarity-score" }, { "value": 2.63, "type": "RMSD" } ], "n_aln_residue_pairs": 647 } }, { "regions": [ [ { "asym_id": "A", "beg_seq_id": 699, "beg_index": 668, "length": 3 }, { "asym_id": "A", "beg_seq_id": 707, "beg_index": 676, "length": 20 }, { "asym_id": "A", "beg_seq_id": 734, "beg_index": 700, "length": 102 } ], [ { "asym_id": "A", "beg_seq_id": 704, "beg_index": 668, "length": 23 }, { "asym_id": "A", "beg_seq_id": 734, "beg_index": 700, "length": 102 } ] ], "transformations": [ [ 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 1 ], [ 0.03983531379027039, -0.9969211935123139, -0.06753726157621881, 0, 0.5428660722665761, 0.07833822385293923, -0.8361576108996602, 0, 0.8388739925382667, -0.0033550871152113193, 0.5443153204102911, 0, 10.707819252191578, 1.4313621373339025, 38.51048821786332, 1 ] ], "summary": { "scores": [ { "value": 2.01, "type": "RMSD" }, { "value": 328.8, "type": "similarity-score" } ], "n_aln_residue_pairs": 125 } } ], "sequence_alignment": [ { "regions": [ { "asym_id": "A", "beg_seq_id": 6, "beg_index": 0, "length": 195 }, { "asym_id": "A", "beg_seq_id": 213, "beg_index": 198, "length": 414 }, { "asym_id": "A", "beg_seq_id": 643, "beg_index": 612, "length": 88 }, { "asym_id": "A", "beg_seq_id": 734, "beg_index": 700, "length": 102 } ], "gaps": [ { "beg_index": 195, "length": 3 } ] }, { "regions": [ { "asym_id": "A", "beg_seq_id": 6, "beg_index": 0, "length": 18 }, { "asym_id": "A", "beg_seq_id": 27, "beg_index": 20, "length": 11 }, { "asym_id": "A", "beg_seq_id": 38, "beg_index": 32, "length": 163 }, { "asym_id": "A", "beg_seq_id": 210, "beg_index": 195, "length": 197 }, { "asym_id": "A", "beg_seq_id": 410, "beg_index": 395, "length": 153 }, { "asym_id": "A", "beg_seq_id": 569, "beg_index": 551, "length": 3 }, { "asym_id": "A", "beg_seq_id": 572, "beg_index": 557, "length": 53 }, { "asym_id": "A", "beg_seq_id": 642, "beg_index": 610, "length": 1 }, { "asym_id": "A", "beg_seq_id": 643, "beg_index": 612, "length": 55 }, { "asym_id": "A", "beg_seq_id": 704, "beg_index": 668, "length": 3 }, { "asym_id": "A", "beg_seq_id": 707, "beg_index": 676, "length": 20 }, { "asym_id": "A", "beg_seq_id": 734, "beg_index": 700, "length": 102 } ], "gaps": [ { "beg_index": 18, "length": 2 }, { "beg_index": 31, "length": 1 }, { "beg_index": 392, "length": 3 }, { "beg_index": 548, "length": 3 }, { "beg_index": 554, "length": 3 }, { "beg_index": 611, "length": 1 }, { "beg_index": 667, "length": 1 }, { "beg_index": 671, "length": 5 }, { "beg_index": 696, "length": 4 } ] } ], "summary": { "scores": [ { "value": 2.48, "type": "RMSD" }, { "value": 0.6, "type": "TM-score" }, { "value": 2076.04, "type": "similarity-score" }, { "value": 0.98, "type": "sequence-identity" }, { "value": 0.98, "type": "sequence-similarity" } ], "n_aln_residue_pairs": 772, "n_modeled_residues": [ 801, 780 ], "seq_aln_len": 802, "aln_coverage": [ 96, 99 ] } } ] }; const alignmentExample = { "info": { "uuid": "538d54e2-039c-44c8-bd5f-bb26af9c45bb", "status": "COMPLETE" }, "meta": { "alignment_mode": "pairwise", "alignment_method": "fatcat-rigid" }, "results": [ { "structures": [ { "url": "https://alphafold.ebi.ac.uk/files/AF-P41235-F1-model_v2.cif", "format": "mmcif", "is_binary": false, "name": "AF-P41235-F1", "selection": { "asym_id": "A" } }, { "entry_id": "3CBB", "selection": { "asym_id": "C" } } ], "structure_alignment": [ { "regions": [ [ { "asym_id": "A", "beg_seq_id": 58, "beg_index": 0, "length": 76 } ], [ { "asym_id": "C", "beg_seq_id": 1, "beg_index": 0, "length": 76 } ] ], "transformations": [ [ 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 1, 0, 0, 0, 0, 1 ], [ 0.663932900191227, -0.6410962059424273, 0.3849529305900804, 0, -0.6205267418674186, -0.18505769796524382, 0.7620368829992492, 0, -0.4173004513190375, -0.7448149455737514, -0.5206832340097945, 0, 2.241812113864647, 17.198483576583477, -52.357664887014344, 1 ] ], "summary": { "scores": [ { "value": 214.71, "type": "similarity-score" }, { "value": 0.47, "type": "RMSD" } ], "n_aln_residue_pairs": 76 } } ], "sequence_alignment": [ { "sequence": "MRLSKTLVDMDMADYSAALDPAYTTLEFENVQVLTMGNDTSPSEGTNLNAPNSLGVSALCAICGDRATGKHYGASSCDGCKGFFRRSVRKNHMYSCRFSRQCVVDKDKRNQCRYCRLKKCFRAGMKKEAVQNERDRISTRRSSYEDSSLPSINALLQAEVLSRQITSPVSGINGDIRAKKIASIADVCESMKEQLLVLVEWAKYIPAFCELPLDDQVALLRAHAGEHLLLGATKRSMVFKDVLLLGNDYIVPRHCPELAEMSRVSIRILDELVLPFQELQIDDNEYAYLKAIIFFDPDAKGLSDPGKIKRLRSQVQVSLEDYINDRQYDSRGRFGELLLLLPTLQSITWQMIEQIQFIKLFGMAKIDNLLQEMLLGGSPSDAPHAHHPLHPHLMQEHMGTNVIVANTMPTHLSNGQMCEWPRPRGQAATPETPQPSPPGGSGSEPYKLLPGAVATIVKPLSAIPQPTITKQEVI", "regions": [ { "asym_id": "A", "beg_seq_id": 58, "beg_index": 0, "length": 76 } ] }, { "sequence": "ALCAICGDRATGKHYGASSCDGCKGFFRRSVRKNHMYSCRFSRQCVVDKDKRNQCRYCRLKKCFRAGMKKEAVQNERD", "regions": [ { "asym_id": "C", "beg_seq_id": 1, "beg_index": 0, "length": 76 } ] } ], "summary": { "scores": [ { "value": 1,