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Browse files- rna3db_stats.json +167 -0
rna3db_stats.json
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{
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"atoms_per_structure": {
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"max": 119751,
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| 4 |
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"mean": 16434.26075,
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| 5 |
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"min": 37
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},
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"bounding_box_extent_angstrom": {
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"diagonal_max": 466.4383822702431,
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"diagonal_min": 20.26119095771105,
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"side_max": 372.98799896240234,
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"side_min": 8.0780029296875
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},
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"elements": {
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"atomic_numbers": [
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1,
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5,
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6,
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7,
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8,
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9,
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15,
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16,
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53
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],
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"count": 9,
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"counts": {
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"1": 3229977,
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"15": 5999855,
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"16": 638,
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"5": 24,
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"53": 1,
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"6": 57200358,
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| 33 |
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"7": 23423310,
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"8": 41619899,
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"9": 24
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},
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"symbols": [
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"H",
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"B",
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| 40 |
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"C",
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| 41 |
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"N",
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| 42 |
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"O",
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"F",
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"P",
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| 45 |
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"S",
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"I"
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| 47 |
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]
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},
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"exact": {
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"_overall_resolved_ratio": 0.9062371890833042,
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| 51 |
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"chain_fraction_with_hydrogens": 0.06430930639207305,
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| 52 |
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"cluster_size_max": 693,
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| 53 |
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"cluster_size_min": 1,
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| 54 |
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"element_counts": {
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"B": 60,
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| 56 |
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"C": 110468344,
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| 57 |
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"F": 66,
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| 58 |
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"H": 6526316,
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| 59 |
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"I": 4,
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| 60 |
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"N": 45255247,
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| 61 |
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"O": 80363160,
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| 62 |
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"P": 11582022,
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| 63 |
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"S": 1250
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| 64 |
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},
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"element_set": [
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"H",
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| 67 |
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"B",
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| 68 |
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"C",
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"N",
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| 70 |
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"O",
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| 71 |
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"F",
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| 72 |
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"P",
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| 73 |
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"S",
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| 74 |
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"I"
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| 75 |
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],
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| 76 |
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"hydrogen_fraction_of_atoms": 0.025674298410494442,
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| 77 |
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"n_atoms_total": 254196469,
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| 78 |
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"n_chains_in_clusters_gt1": 14489,
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| 79 |
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"n_chains_with_hydrogens": 993,
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| 80 |
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"n_clusters": 2199,
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| 81 |
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"n_component_0_chains": 1378,
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| 82 |
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"n_components": 142,
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| 83 |
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"n_hydrogen_atoms": 6526316,
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| 84 |
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"n_singleton_clusters": 952,
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| 85 |
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"n_structures": 15441,
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| 86 |
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"note": "every figure under \"exact\" is computed from the FULL collated tensors (ptr.diff(), bincount(z)), not from the sample. The sampled quantities elsewhere in this file carry their own n_samples. label_key is \"resolution\" (angstrom) because RNA3DB has no y.",
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| 87 |
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"splits": {
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| 88 |
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"test": {
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| 89 |
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"atoms_max": 16160,
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| 90 |
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"atoms_mean": 1567.3758793969848,
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| 91 |
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"atoms_median": 1052.0,
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| 92 |
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"atoms_min": 32,
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| 93 |
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"element_counts": {
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"B": 12,
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| 95 |
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"C": 1348177,
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| 96 |
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"F": 61,
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| 97 |
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"H": 102647,
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| 98 |
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"I": 4,
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| 99 |
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"N": 541051,
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| 100 |
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"O": 985114,
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| 101 |
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"P": 142003,
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| 102 |
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"S": 9
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| 103 |
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},
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| 104 |
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"n_atoms_total": 3119078,
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| 105 |
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"n_chains_with_hydrogens": 203,
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| 106 |
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"n_chains_with_unresolved_residues": 1227,
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| 107 |
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"n_clusters": 660,
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| 108 |
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"n_components": 51,
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| 109 |
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"n_hydrogen_atoms": 102647,
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| 110 |
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"n_no_rfam_hit": 1365,
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| 111 |
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"n_structures": 1990,
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| 112 |
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"resolution_max": 9.0,
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| 113 |
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"resolution_min": 1.0499999523162842,
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| 114 |
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"resolved_ratio": 0.7287988037199393,
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| 115 |
+
"resolved_residues_total": 142314,
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| 116 |
+
"seq_length_max": 1824,
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| 117 |
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"seq_length_mean": 98.12663316582915,
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| 118 |
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"seq_length_min": 32,
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| 119 |
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"seq_residues_total": 195272
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| 120 |
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},
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| 121 |
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"train": {
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| 122 |
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"atoms_max": 119751,
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| 123 |
+
"atoms_mean": 18666.076202512824,
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| 124 |
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"atoms_median": 2579.0,
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| 125 |
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"atoms_min": 29,
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| 126 |
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"element_counts": {
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| 127 |
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"B": 48,
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| 128 |
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"C": 109120167,
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| 129 |
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"F": 5,
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| 130 |
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"H": 6423669,
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| 131 |
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"N": 44714196,
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| 132 |
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"O": 79378046,
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| 133 |
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"P": 11440019,
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| 134 |
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"S": 1241
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| 135 |
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},
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| 136 |
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"n_atoms_total": 251077391,
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| 137 |
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"n_chains_with_hydrogens": 790,
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| 138 |
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"n_chains_with_unresolved_residues": 7592,
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| 139 |
+
"n_clusters": 1539,
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| 140 |
+
"n_components": 91,
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| 141 |
+
"n_hydrogen_atoms": 6423669,
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| 142 |
+
"n_no_rfam_hit": 58,
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| 143 |
+
"n_structures": 13451,
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| 144 |
+
"resolution_max": 9.0,
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| 145 |
+
"resolution_min": 1.309999942779541,
|
| 146 |
+
"resolved_ratio": 0.9089889080673468,
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| 147 |
+
"resolved_residues_total": 11445692,
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| 148 |
+
"seq_length_max": 19000,
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| 149 |
+
"seq_length_mean": 936.114340941194,
|
| 150 |
+
"seq_length_min": 32,
|
| 151 |
+
"seq_residues_total": 12591674
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| 152 |
+
}
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| 153 |
+
},
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| 154 |
+
"structure_method_counts": {
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| 155 |
+
"electron microscopy": 9625,
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| 156 |
+
"electron microscopy,solution nmr": 2,
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| 157 |
+
"x-ray diffraction": 5814
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| 158 |
+
}
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| 159 |
+
},
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| 160 |
+
"label_resolution": {
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| 161 |
+
"max": 9.0,
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| 162 |
+
"mean": 3.3148551670610904,
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| 163 |
+
"min": 1.0499999523162842
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| 164 |
+
},
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| 165 |
+
"n_total": 15441,
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| 166 |
+
"sample_size": 8000
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| 167 |
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}
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