mut_pdb_id stringlengths 6 6 | mut_aa_type stringclasses 20
values | mut_struct_seq stringlengths 164 9.52k | mut_aa_seq stringlengths 33 1.9k | length int64 33 1.9k | mut_raw_path stringlengths 81 81 | mut_pdb_name stringlengths 6 6 | mut_num_chains int64 1 1 | mut_quaternary_category stringclasses 1
value | mut_seq_len int64 33 1.9k | mut_modeled_seq_len int64 33 1.9k | mut_coil_percent float64 0.04 0.83 | mut_helix_percent float64 0 0.96 | mut_strand_percent float64 0 0.69 | mut_radius_gyration float64 0.88 13.9 | wt_pdb_id stringlengths 6 6 | wt_aa_type stringclasses 20
values | wt_struct_seq stringlengths 164 9.52k | wt_aa_seq stringlengths 33 1.9k | wt_raw_path stringlengths 81 81 | wt_pdb_name stringlengths 6 6 | wt_num_chains int64 1 1 | wt_quaternary_category stringclasses 1
value | wt_seq_len int64 33 1.9k | wt_modeled_seq_len int64 33 1.9k | wt_coil_percent float64 0 0.88 | wt_helix_percent float64 0 1.52 | wt_strand_percent float64 0 0.64 | wt_radius_gyration float64 0.89 14.2 | mut_site int64 0 1.72k | mut_residue_num int64 1 7.72k | wt_ca_coords listlengths 33 1.9k | wt_ca_mask listlengths 33 1.9k | mut_ca_coords listlengths 33 1.9k | mut_ca_mask listlengths 33 1.9k | __index_level_0__ int64 0 9.44k |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
1y51_C | W | 5584,1822,1934,3982,7334,3114,5710,1866,7236,6264,2616,7796,6006,3668,6745,4472,5900,5470,2778,1898,4474,0596,0250,3526,6478,2774,0874,3236,2264,7380,1016,5878,2710,4538,3206,7908,3400,6954,1706,3991,5782,5013,4547,0965,2741,5587,5017,2895,4947,3539,0127,7383,2685,5687,3645,3273,7017,7173,1455,4663,1799,5039,2967,5279,... | AEKTFKVVSDSGIHARPATILVQTASKWNSEIQLEYNGKTVNLKSIMGVMSLGIPKGATIKITAEGADAAEAMAALTDTLAKEGLAE | 87 | /bask/projects/l/liuje-ai4bio-struct/shuo/datasets/pdb_241028/pdb_1000/1y51_C.pdb | 1y51_C | 1 | homomer | 87 | 87 | 0.321839 | 0.367816 | 0.310345 | 1.199396 | 1y4y_B | F | 5584,3478,3974,3982,7334,3242,5726,1866,7252,6264,2232,7796,4976,3668,7001,4984,5900,5462,2906,1918,4474,0724,0350,1990,6478,2262,0490,7332,6360,7380,0440,5846,2710,4538,1670,7908,3912,6922,1978,3991,5782,5013,4547,0965,2749,1491,5017,2895,4947,0497,2671,7383,2813,4663,7741,3277,7787,7175,1455,4663,0903,5038,2695,5279,... | AEKTFKVVSDSGIHARPATILVQTASKFNSEIQLEYNGKTVNLKSIMGVMSLGIPKGATIKITAEGADAAEAMAALTDTLAKEGLAE | /bask/projects/l/liuje-ai4bio-struct/shuo/datasets/pdb_241028/pdb_1000/1y4y_B.pdb | 1y4y_B | 1 | homomer | 87 | 87 | 0.333333 | 0.367816 | 0.298851 | 1.192142 | 27 | 29 | [
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2igm_C | N | 5554,1676,2440,3756,3750,6860,4619,4842,4751,5066,6963,6598,6705,4496,5072,6695,6340,5070,7078,4431,2532,0966,4171,5714,2922,7626,6754,7907,1764,4623,7439,4111,4774,6293,1360,7702,3596,1896,2844,7892,7730,6584,3372,5953,6980,2567,6772,1491,4980,2756,7827,4936,2282,6898,2420,2168,2732,3376,7020,0219,6385,3920,2874,1875,... | MDIKYDVVIVGSGPIGCTYARELVGAGYKVAMFDIGEIDSGLKIGAHKKNTVEYQKNIDKFVNVIQGQLMSVSVPVNTLVVDTLSPTSWQASTFFVRNGSNPEQDPLRNLSGQAVTRVVGGMSTHWTCATPRFDREQRPLLVKDDADADDAEWDRLYTKAESYFQTGTDQFKESIRHNLVLNKLTEEYKGQRDFQQIPLAATRRSPTFVEWSSANTVFDLQNRPNTDAPEERFNLFPAVACERVVRNALNSEIESLHIHDLISGDRFEIKADVYVLTAGAVHNTQLLVNSGFGQLGRPNPANPPELLPSLGSYITEQSLV... | 577 | /bask/projects/l/liuje-ai4bio-struct/shuo/datasets/pdb_241028/pdb_1000/2igm_C.pdb | 2igm_C | 1 | homomer | 577 | 577 | 0.52513 | 0.249567 | 0.225303 | 2.600632 | 2igk_A | H | 1448,3724,3016,3756,3750,6732,4622,4810,4639,5066,6961,6342,6705,4496,5072,6951,6340,5062,6564,4175,3558,0454,4171,5714,2922,7630,7778,7907,1764,4623,7183,4231,6822,4245,1360,7702,3596,1896,2332,7892,7682,6552,3340,1889,6980,2693,6900,1491,1012,2756,3731,4936,2282,2290,0372,2138,2732,7472,7020,0107,6385,3416,2936,1875,... | MDIKYDVVIVGSGPIGCTYARELVGAGYKVAMFDIGEIDSGLKIGAHKKNTVEYQKNIDKFVNVIQGQLMSVSVPVNTLVVDTLSPTSWQASTFFVRNGSNPEQDPLRNLSGQAVTRVVGGMSTHWTCATPRFDREQRPLLVKDDADADDAEWDRLYTKAESYFQTGTDQFKESIRHNLVLNKLTEEYKGQRDFQQIPLAATRRSPTFVEWSSANTVFDLQNRPNTDAPEERFNLFPAVACERVVRNALNSEIESLHIHDLISGDRFEIKADVYVLTAGAVHNTQLLVNSGFGQLGRPNPANPPELLPSLGSYITEQSLV... | /bask/projects/l/liuje-ai4bio-struct/shuo/datasets/pdb_241028/pdb_1000/2igk_A.pdb | 2igk_A | 1 | homomer | 577 | 577 | 0.511265 | 0.256499 | 0.232236 | 2.588285 | 505 | 548 | [
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6dmq_B | A | 7608,5156,3764,4460,1078,1496,5080,3720,5222,2963,4264,5080,1047,3726,1196,1802,7690,3242,5559,1706,1979,7034,7019,1595,1195,7345,1765,5603,4213,5159,1745,6569,6585 | VCSCRLVFCRRTELRVGNCLIGGVSFAYCCTRV | 33 | /bask/projects/l/liuje-ai4bio-struct/shuo/datasets/pdb_241028/pdb_1000/6dmq_B.pdb | 6dmq_B | 1 | homomer | 33 | 33 | 0.424242 | 0 | 0.575758 | 0.959278 | 1zmm_B | T | 7608,5220,3766,4204,1078,3544,5016,3754,5222,2963,6328,7112,1047,3758,1214,1966,7690,3758,4519,1706,1979,7080,6763,1595,1195,7857,1765,0419,4215,5159,1757,4521,4537 | VCSCRLVFCRRTELRVGNCLIGGVSFTYCCTRV | /bask/projects/l/liuje-ai4bio-struct/shuo/datasets/pdb_241028/pdb_1000/1zmm_B.pdb | 1zmm_B | 1 | homomer | 33 | 33 | 0.424242 | 0 | 0.575758 | 0.973474 | 26 | 27 | [
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2ylz_A | G | 6488,3241,1580,5132,5669,2505,3884,5638,4972,4878,4298,4767,5050,6967,4550,6707,4529,6420,7015,4594,0898,4878,4302,2530,1286,4430,1890,2543,3558,6955,3367,3785,5767,3109,4615,5867,4117,1872,3092,8136,2948,6086,6678,6995,4368,6640,2529,2417,0304,2884,6836,7980,7938,0436,3638,0311,6992,5936,3892,6356,5616,1492,6645,3254,... | RRQPPEEVDVLVVGAGFSGLYALYRLRELGRSVHVIETAGDVGGVWYWNRYPGARCDIESIEYCYSFSEEVLQEWNWTERYASQPEILRYINFVADKFDLRSGITFHTTVTAAAFDEATNTWTVDTNHGDRIRARYLIMASGQLSVPQLPNFPGLKDFAGNLYHTGNWPHEPVDFSGQRVGVIGTGSSGIQVSPQIAKQAAELFVFQRTPHFAVPARNAPLDPEFLADLKKRYAEFREESRNTPGGTHRYQGPKSALEVSDEELVETLERYWQEGGPDILAAYRDILRDRDANERVAEFIRNKIRNTVRDPEVAERLVPK... | 533 | /bask/projects/l/liuje-ai4bio-struct/shuo/datasets/pdb_241028/pdb_1000/2ylz_A.pdb | 2ylz_A | 1 | homomer | 533 | 533 | 0.448405 | 0.360225 | 0.19137 | 2.399058 | 1w4x_A | M | 4568,3244,1582,5388,5677,2761,3980,5638,5068,4750,4298,4639,5050,6967,4548,6707,4529,6420,7015,4450,7442,4366,4302,2530,3334,4366,3430,2415,3462,6955,7203,3779,5647,3301,4743,5871,6165,1872,3092,8136,3972,6086,6710,6995,4369,6512,2533,3057,0308,4036,6836,5932,7938,0436,3638,0311,6992,7472,3892,6356,6128,2548,0465,3254,... | RRQPPEEVDVLVVGAGFSGLYALYRLRELGRSVHVIETAGDVGGVWYWNRYPGARCDIESIEYCYSFSEEVLQEWNWTERYASQPEILRYINFVADKFDLRSGITFHTTVTAAAFDEATNTWTVDTNHGDRIRARYLIMASGQLSVPQLPNFPGLKDFAGNLYHTGNWPHEPVDFSGQRVGVIGTGSSGIQVSPQIAKQAAELFVFQRTPHFAVPARNAPLDPEFLADLKKRYAEFREESRNTPGGTHRYQGPKSALEVSDEELVETLERYWQEGGPDILAAYRDILRDRDANERVAEFIRNKIRNTVRDPEVAERLVPK... | /bask/projects/l/liuje-ai4bio-struct/shuo/datasets/pdb_241028/pdb_1000/1w4x_A.pdb | 1w4x_A | 1 | homomer | 533 | 533 | 0.452158 | 0.362101 | 0.185741 | 2.402096 | 436 | 446 | [
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6y39_F | L | "7048,4504,4016,2136,6960,6099,8132,2140,8032,5270,6696,7691,6568,7492,3279,0203,1323,4550,0215,0430(...TRUNCATED) | "GTWANVNQGLQGTARDILTTYWQHVINHLESDNHDYKIHQLLLARIKKVMKADPEVKMISAEAPILFAKGCDVFITELTMRAWIHAEDNKRRTLQRSDI(...TRUNCATED) | 117 | /bask/projects/l/liuje-ai4bio-struct/shuo/datasets/pdb_241028/pdb_1000/6y39_F.pdb | 6y39_F | 1 | homomer | 117 | 117 | 0.358974 | 0.641026 | 0 | 1.666021 | 4g92_C | P | "6808,6424,3984,2137,6960,6096,2004,0604,8032,7318,3624,7755,6440,5484,1631,0683,1898,5454,0223,0191(...TRUNCATED) | "GTWANVNQGLQGTARDILTTYWQHVINHLESDNHDYKIHQLPLARIKKVMKADPEVKMISAEAPILFAKGCDVFITELTMRAWIHAEDNKRRTLQRSDI(...TRUNCATED) | /bask/projects/l/liuje-ai4bio-struct/shuo/datasets/pdb_241028/pdb_1000/4g92_C.pdb | 4g92_C | 1 | homomer | 117 | 117 | 0.393162 | 0.606838 | 0 | 1.683603 | 41 | 88 | [[16.407897435897834,-5.798965811966074,7.013034188033927],[13.042897435897824,-4.520965811966075,8.(...TRUNCATED) | [1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0(...TRUNCATED) | [[-6.19941025641048,-18.034897435897562,0.3223418803415454],[-4.39141025641048,-15.552897435897563,2(...TRUNCATED) | [1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0(...TRUNCATED) | 5,077 |
7q89_F | W | "7065,6921,1742,5308,2108,7088,7988,7584,3228,2872,7444,3865,8000,7554,2623,7474,7829,7961,1907,6641(...TRUNCATED) | "DAVPAYPFSLPHALDLDPHYAELRRDEPVSRVRLPYGEGTAWLVTRMSDARIVLGDSRFSTAAATDPATPRMFPTPPEPDWVLAQDPPDHTRLRRLVGK(...TRUNCATED) | 396 | /bask/projects/l/liuje-ai4bio-struct/shuo/datasets/pdb_241028/pdb_1000/7q89_F.pdb | 7q89_F | 1 | homomer | 396 | 396 | 0.406566 | 0.489899 | 0.103535 | 2.107177 | 6zi7_A | G | "6808,7049,1738,5292,0061,7152,7988,7328,3100,2872,7444,2969,8000,7552,2111,1840,4741,7961,1907,6640(...TRUNCATED) | "DAVPAYPFSLPHALDLDPHYAELRRDEPVSRVRLPYGEGTAWLVTRMSDARIVLGDSRFSTAAATDPATPRMFPTPPEPDGVLAQDPPDHTRLRRLVGK(...TRUNCATED) | /bask/projects/l/liuje-ai4bio-struct/shuo/datasets/pdb_241028/pdb_1000/6zi7_A.pdb | 6zi7_A | 1 | homomer | 396 | 396 | 0.386364 | 0.517677 | 0.09596 | 2.138926 | 80 | 92 | [[-15.77350757575762,-16.294416666666685,22.46869696969698],[-13.000507575757624,-15.021416666666683(...TRUNCATED) | [1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0(...TRUNCATED) | [[1.332833333333364,30.092931818181835,-7.773790404040343],[-1.944166666666637,31.072931818181832,-6(...TRUNCATED) | [1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0(...TRUNCATED) | 6,017 |
3a6f_F | F | "6812,6084,4000,6084,2882,2505,7219,6851,4393,4105,0077,5475,2059,0107,1383,5730,6219,2223,8043,4072(...TRUNCATED) | "SVFVGELTWKEYEARVAAGDCVLMLPVGALEQHGHHMCMNVDVLLPTAVCKRVAERIGALVMPGLQYGYKSQQKSGGGNHFPGTTSLDGATLTGTVQDI(...TRUNCATED) | 256 | /bask/projects/l/liuje-ai4bio-struct/shuo/datasets/pdb_241028/pdb_1000/3a6f_F.pdb | 3a6f_F | 1 | homomer | 256 | 256 | 0.414063 | 0.480469 | 0.105469 | 1.912349 | 3a6d_C | W | "7836,6084,4004,5958,6978,2505,7187,7809,0297,4299,0077,6499,2157,2251,1381,5740,6251,2059,8043,3944(...TRUNCATED) | "SVFVGELTWKEYEARVAAGDCVLMLPVGALEQHGHHMCMNVDVLLPTAVCKRVAERIGALVMPGLQYGYKSQQKSGGGNHFPGTTSLDGATLTGTVQDI(...TRUNCATED) | /bask/projects/l/liuje-ai4bio-struct/shuo/datasets/pdb_241028/pdb_1000/3a6d_C.pdb | 3a6d_C | 1 | homomer | 256 | 256 | 0.414063 | 0.480469 | 0.105469 | 1.912641 | 170 | 174 | [[17.70094921875005,9.369148437500026,6.007609375000055],[16.156949218750047,6.060148437500025,5.001(...TRUNCATED) | [1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0(...TRUNCATED) | [[3.9948125000001276,-18.423687500000096,8.585402343750019],[2.9108125000001244,-14.923687500000097,(...TRUNCATED) | [1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0(...TRUNCATED) | 593 |
3mc5_A | V | "3368,3084,3432,3726,1826,3114,7430,8012,6980,6955,3876,3245,4390,5669,3909,5922,6679,5162,6931,4822(...TRUNCATED) | "MASRILLNNGAKMPILGLGTWKSPPGQVTEAVKVAIDVGYRHIDCAHVYQNENEVGVAIQEKLREQVVKREELFIVSKLWCTYHEKGLVKGACQKTLSD(...TRUNCATED) | 316 | /bask/projects/l/liuje-ai4bio-struct/shuo/datasets/pdb_241028/pdb_1000/3mc5_A.pdb | 3mc5_A | 1 | homomer | 316 | 316 | 0.46519 | 0.386076 | 0.148734 | 1.908951 | 3ghs_A | T | "7456,0828,3528,3614,1826,3114,7170,6988,7012,7018,4004,3245,4390,5797,3397,5890,6679,5162,6931,4822(...TRUNCATED) | "MASRILLNNGAKMPILGLGTWKSPPGQVTEAVKVAIDVGYRHIDCAHVYQNENEVGVAIQEKLREQVVKREELFIVSKLWCTYHEKGLVKGACQKTLSD(...TRUNCATED) | /bask/projects/l/liuje-ai4bio-struct/shuo/datasets/pdb_241028/pdb_1000/3ghs_A.pdb | 3ghs_A | 1 | homomer | 316 | 316 | 0.46519 | 0.386076 | 0.148734 | 1.956822 | 113 | 113 | [[4.074389240506345,11.839259493670886,16.614183544303817],[0.2733892405063431,12.212259493670887,15(...TRUNCATED) | [1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0(...TRUNCATED) | [[-4.8697278481012525,18.258234177215215,-9.727376582278497],[-6.476727848101252,17.73923417721521,-(...TRUNCATED) | [1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0(...TRUNCATED) | 3,803 |
5zwt_B | A | "7448,7834,5480,1896,0313,2409,5718,1366,0287,1388,4942,1139,1002,6082,4702,0742,2958,3508,6552,4040(...TRUNCATED) | GSHMNDVLTRVLEVVKNFEKVDASKVTPESHFVKDLGLNALDVVEVVFAIEQEFILDIPDHDAEKIQSIPDAVEYIAQNPMAK | 83 | /bask/projects/l/liuje-ai4bio-struct/shuo/datasets/pdb_241028/pdb_1000/5zwt_B.pdb | 5zwt_B | 1 | homomer | 83 | 83 | 0.421687 | 0.554217 | 0.024096 | 1.185056 | 5zws_A | S | "7448,7832,3432,1866,0315,0377,5724,1494,0285,1388,4958,1270,0814,6082,4702,2118,2446,6052,6536,3544(...TRUNCATED) | GSHMNDVLTRVLEVVKNFEKVDASKVTPESHFVKDLGLNSLDVVEVVFAIEQEFILDIPDHDAEKIQSIPDAVEYIAQNPMAK | /bask/projects/l/liuje-ai4bio-struct/shuo/datasets/pdb_241028/pdb_1000/5zws_A.pdb | 5zws_A | 1 | homomer | 83 | 83 | 0.421687 | 0.554217 | 0.024096 | 1.191858 | 39 | 37 | [[17.290192771083817,-9.141951807228832,-0.729542168674943],[16.017192771083817,-7.232951807228833,2(...TRUNCATED) | [1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0(...TRUNCATED) | [[-6.463012048193074,16.317722891566113,-9.051915662650812],[-2.829012048193074,15.226722891566112,-(...TRUNCATED) | [1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0(...TRUNCATED) | 233 |
3e1q_K | F | "1208,3640,7798,5740,6217,1320,5700,5756,0189,6884,4218,0580,0414,4842,5330,2646,2950,6580,1526,1878(...TRUNCATED) | "MKGDTKVINYLNKLLGNELVAINQYFLHARMFKNWGLKRLNDVEYHESIDEMKHADRYIERILFLEGLPNLQDLGKLNIGEDVEEMLRSDLALELDGAK(...TRUNCATED) | 158 | /bask/projects/l/liuje-ai4bio-struct/shuo/datasets/pdb_241028/pdb_1000/3e1q_K.pdb | 3e1q_K | 1 | homomer | 158 | 158 | 0.21519 | 0.778481 | 0 | 1.747534 | 1bfr_U | W | "1208,2088,7782,5676,5129,1896,5700,5748,0063,6628,4346,0708,0774,4586,4306,2646,2438,4276,1526,2004(...TRUNCATED) | "MKGDTKVINYLNKLLGNELVAINQYFLHARMFKNWGLKRLNDVEYHESIDEMKHADRYIERILFLEGLPNLQDLGKLNIGEDVEEMLRSDLALELDGAK(...TRUNCATED) | /bask/projects/l/liuje-ai4bio-struct/shuo/datasets/pdb_241028/pdb_1000/1bfr_U.pdb | 1bfr_U | 1 | homomer | 158 | 158 | 0.227848 | 0.772152 | 0 | 1.738275 | 132 | 133 | [[-14.862462025316296,-19.607563291139144,-13.646981012658294],[-14.736462025316294,-17.129563291139(...TRUNCATED) | [1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0(...TRUNCATED) | [[26.113310126582046,0.5371392405063143,-10.335379746835478],[25.360310126582046,4.294139240506315,-(...TRUNCATED) | [1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0,1.0(...TRUNCATED) | 7,546 |
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