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| "name": "DNeup5Aca2-8DNeup5Gca2-3DGalpb1-4DGlcpa1-OH", |
| "glycam": "DNeup5Aca2-8DNeup5Gca2-3DGalpb1-4DGlcp", |
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| "iupac_extended": "α-D-Neup5Ac-(2→8)-α-D-Neup5Gc-(2→3)-β-D-Galp-(1→4)-D-Glc", |
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| "oxford": null, |
| "mass": 940.3, |
| "motifs": [], |
| "termini": [ |
| "Neu5Ac(a2-8)" |
| ], |
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| "Neu5Gc": 1 |
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| "rot_bonds": 19, |
| "hbond_donor": 19, |
| "hbond_acceptor": 28, |
| "entropy": 10.707702838889599, |
| "clusters": { |
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| "Cluster 1": 24.5, |
| "Cluster 2": 16.58, |
| "Cluster 3": 14.34, |
| "Cluster 4": 13.03 |
| }, |
| "coverage_clusters": { |
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| "Cluster 1": 14.2611, |
| "Cluster 2": 14.2386, |
| "Cluster 3": 11.3339, |
| "Cluster 4": 8.4167, |
| "Cluster 5": 8.2667, |
| "Cluster 6": 5.8944, |
| "Cluster 7": 4.4371, |
| "Cluster 8": 4.2771, |
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| "Cluster 14": 0.6924, |
| "Cluster 15": 0.4575 |
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| 14 |
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| "4": [ |
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| 11, |
| 13, |
| 15 |
| ] |
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| "pca_variance": { |
| "explained_variance_ratio": [ |
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| 0.37775347035361495, |
| 0.4444248534035201, |
| 0.49413033017990127, |
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| "n_components": 10 |
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| "length": 2.0, |
| "package": "GROMACS", |
| "forcefield": "GLYCAM_06j", |
| "temperature": 300.0, |
| "pressure": 1.0, |
| "salt": "150" |
| }, |
| "alpha": { |
| "ID": "GS00007", |
| "name": "DNeup5Aca2-8DNeup5Gca2-3DGalpb1-4DGlcpa1-OH", |
| "glycam": "DNeup5Aca2-8DNeup5Gca2-3DGalpb1-4DGlcpa1-OH", |
| "iupac": "Neu5Ac(a2-8)Neu5Gc(a2-3)Gal(b1-4)Glc(a1-", |
| "iupac_extended": "α-D-Neup5Ac-(2→8)-α-D-Neup5Gc-(2→3)-β-D-Galp-(1→4)-α-D-Glcp-(1→", |
| "glytoucan": "G83903NJ", |
| "wurcs": "WURCS=2.0/4,4,3/[a2122h-1a_1-5][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCCO/3=O][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3-4/a4-b1_b3-c2_c8-d2" |
| }, |
| "beta": { |
| "ID": "GS00007", |
| "name": "DNeup5Aca2-8DNeup5Gca2-3DGalpb1-4DGlcpa1-OH", |
| "glycam": "DNeup5Aca2-8DNeup5Gca2-3DGalpb1-4DGlcpb1-OH", |
| "iupac": "Neu5Ac(a2-8)Neu5Gc(a2-3)Gal(b1-4)Glc(b1-", |
| "iupac_extended": "α-D-Neup5Ac-(2→8)-α-D-Neup5Gc-(2→3)-β-D-Galp-(1→4)-β-D-Glcp-(1→", |
| "glytoucan": "G27243GN", |
| "wurcs": "WURCS=2.0/4,4,3/[a2122h-1b_1-5][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCCO/3=O][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3-4/a4-b1_b3-c2_c8-d2" |
| }, |
| "search_meta": { |
| "common_names": [], |
| "description": "", |
| "keywords": [] |
| } |
| } |
