{
    "archetype": {
        "ID": "GS00050",
        "name": "DGlcpNAca1-4DGlcpAb1-4DGlcpNAca1-4DGlcpAb1-4DGlcpNAca1-4DGlcpAb1-4DGlcpNAca1-4DGlcpAb1-4DGlcpNAca1-4DGlcpAb1-OH",
        "glycam": "DGlcpNAca1-4DGlcpAb1-4DGlcpNAca1-4DGlcpAb1-4DGlcpNAca1-4DGlcpAb1-4DGlcpNAca1-4DGlcpAb1-4DGlcpNAca1-4DGlcpA",
        "iupac": "GlcNAc(a1-4)GlcA(b1-4)GlcNAc(a1-4)GlcA(b1-4)GlcNAc(a1-4)GlcA(b1-4)GlcNAc(a1-4)GlcA(b1-4)GlcNAc(a1-4)GlcA",
        "iupac_extended": "α-D-GlcpNAc-(1→4)-β-D-GlcpA-(1→4)-α-D-GlcpNAc-(1→4)-β-D-GlcpA-(1→4)-α-D-GlcpNAc-(1→4)-β-D-GlcpA-(1→4)-α-D-GlcpNAc-(1→4)-β-D-GlcpA-(1→4)-α-D-GlcpNAc-(1→4)-D-GlcA",
        "glytoucan": "G66492AD",
        "wurcs": "WURCS=2.0/3,10,9/[u2122A][a2122h-1a_1-5_2*NCC/3=O][a2122A-1b_1-5]/1-2-3-2-3-2-3-2-3-2/a4-b1_b4-c1_c4-d1_d4-e1_e4-f1_f4-g1_g4-h1_h4-i1_i4-j1",
        "glycoct": "RES\n1b:b-dglc-HEX-1:5|-1:a\n2b:a-dglc-HEX-1:5\n3s:n-acetyl\n4b:b-dglc-HEX-1:5|-1:a\n5b:a-dglc-HEX-1:5\n6s:n-acetyl\n7b:b-dglc-HEX-1:5|-1:a\n8b:a-dglc-HEX-1:5\n9s:n-acetyl\n10b:b-dglc-HEX-1:5|-1:a\n11b:a-dglc-HEX-1:5\n12s:n-acetyl\n13b:b-dglc-HEX-1:5|-1:a\n14b:a-dglc-HEX-1:5\n15s:n-acetyl\nLIN\n1:1o(4+1)2d\n2:2d(2+1)3n\n3:2o(4+1)4d\n4:4o(4+1)5d\n5:5d(2+1)6n\n6:5o(4+1)7d\n7:7o(4+1)8d\n8:8d(2+1)9n\n9:8o(4+1)10d\n10:10o(4+1)11d\n11:11d(2+1)12n\n12:11o(4+1)13d\n13:13o(4+1)14d\n14:14d(2+1)15n\n",
        "smiles": "O1C(O)[C@H](O)[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](C(=O)O)[C@@H](O[C@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@H](C(=O)O)[C@@H](O[C@H]8O[C@H](CO)[C@@H](O[C@@H]9O[C@H](C(=O)O)[C@@H](O[C@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10NC(C)=O)[C@H](O)[C@H]9O)[C@H](O)[C@H]8NC(C)=O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6NC(C)=O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@H]1C(=O)O",
        "oxford": null,
        "mass": 1913.57,
        "motifs": [],
        "termini": [
            "GlcNAc(a1-4)"
        ],
        "components": {
            "GlcNAc": 5,
            "GlcA": 5
        },
        "composition": {
            "HexA": 5,
            "HexNAc": 5
        },
        "rot_bonds": 1,
        "hbond_donor": 5,
        "hbond_acceptor": 6,
        "entropy": 13.796040625826496,
        "clusters": {
            "Cluster 0": 46.72,
            "Cluster 1": 23.92,
            "Cluster 2": 17.35,
            "Cluster 3": 6.06,
            "Cluster 4": 5.94
        },
        "coverage_clusters": {
            "Cluster 0": 62.7737,
            "Cluster 1": 13.472,
            "Cluster 2": 6.1661,
            "Cluster 3": 5.6394,
            "Cluster 4": 2.7231,
            "Cluster 5": 2.3198,
            "Cluster 6": 1.6065,
            "Cluster 7": 1.1965,
            "Cluster 8": 0.9932,
            "Cluster 9": 0.5433,
            "Cluster 10": 0.49,
            "Cluster 11": 0.4466,
            "Cluster 12": 0.3366,
            "Cluster 13": 0.2,
            "Cluster 14": 0.19,
            "Cluster 15": 0.1533,
            "Cluster 16": 0.1533,
            "Cluster 17": 0.14,
            "Cluster 18": 0.0933,
            "Cluster 19": 0.0867,
            "Cluster 20": 0.0667,
            "Cluster 21": 0.0533,
            "Cluster 22": 0.05,
            "Cluster 23": 0.0333,
            "Cluster 24": 0.0333,
            "Cluster 25": 0.0167,
            "Cluster 26": 0.0067,
            "Cluster 27": 0.0067,
            "Cluster 28": 0.0067,
            "Cluster 29": 0.0033
        },
        "silhouette_scores": {
            "2": 0.49348055120705975,
            "3": 0.4335808612084093,
            "4": 0.2763173053435301,
            "5": 0.2624958878313297,
            "6": 0.2668872301468443,
            "7": 0.24927786251613493,
            "8": 0.25097744555241486
        },
        "coverage_clusters_per_main": {
            "0": [
                11,
                25,
                28
            ],
            "1": [
                0,
                21
            ],
            "2": [
                2,
                3,
                6,
                8,
                12,
                14,
                17,
                20,
                23,
                24,
                26
            ],
            "3": [
                1,
                4,
                5,
                7,
                9,
                10,
                13,
                15,
                16,
                18,
                19,
                22,
                27,
                29
            ],
            "4": []
        },
        "pca_variance": {
            "explained_variance_ratio": [
                0.19471279953494627,
                0.09830075969541974,
                0.06722606433207537,
                0.050995902828256535,
                0.04530524688187134,
                0.029232804954663905,
                0.025156024577411888,
                0.023343808745721215,
                0.021718462133251716,
                0.01843915503778966
            ],
            "cumulative_variance": [
                0.19471279953494627,
                0.293013559230366,
                0.3602396235624413,
                0.4112355263906979,
                0.4565407732725692,
                0.4857735782272331,
                0.510929602804645,
                0.5342734115503661,
                0.5559918736836178,
                0.5744310287214075
            ],
            "n_components": 10
        },
        "length": 1.5,
        "package": "GROMACS",
        "forcefield": "GLYCAM_06j",
        "temperature": 300.0,
        "pressure": 1.0,
        "salt": "200"
    },
    "alpha": {
        "ID": "GS00050",
        "name": "DGlcpNAca1-4DGlcpAb1-4DGlcpNAca1-4DGlcpAb1-4DGlcpNAca1-4DGlcpAb1-4DGlcpNAca1-4DGlcpAb1-4DGlcpNAca1-4DGlcpAb1-OH",
        "glycam": "DGlcpNAca1-4DGlcpAb1-4DGlcpNAca1-4DGlcpAb1-4DGlcpNAca1-4DGlcpAb1-4DGlcpNAca1-4DGlcpAb1-4DGlcpNAca1-4DGlcpAa1-OH",
        "iupac": "GlcNAc(a1-4)GlcA(b1-4)GlcNAc(a1-4)GlcA(b1-4)GlcNAc(a1-4)GlcA(b1-4)GlcNAc(a1-4)GlcA(b1-4)GlcNAc(a1-4)GlcA(a1-",
        "iupac_extended": "α-D-GlcpNAc-(1→4)-β-D-GlcpA-(1→4)-α-D-GlcpNAc-(1→4)-β-D-GlcpA-(1→4)-α-D-GlcpNAc-(1→4)-β-D-GlcpA-(1→4)-α-D-GlcpNAc-(1→4)-β-D-GlcpA-(1→4)-α-D-GlcpNAc-(1→4)-α-D-GlcpA-(1→",
        "glytoucan": "G00810SR",
        "wurcs": "WURCS=2.0/3,10,9/[a2122A-1a_1-5][a2122h-1a_1-5_2*NCC/3=O][a2122A-1b_1-5]/1-2-3-2-3-2-3-2-3-2/a4-b1_b4-c1_c4-d1_d4-e1_e4-f1_f4-g1_g4-h1_h4-i1_i4-j1"
    },
    "beta": {
        "ID": "GS00050",
        "name": "DGlcpNAca1-4DGlcpAb1-4DGlcpNAca1-4DGlcpAb1-4DGlcpNAca1-4DGlcpAb1-4DGlcpNAca1-4DGlcpAb1-4DGlcpNAca1-4DGlcpAb1-OH",
        "glycam": "DGlcpNAca1-4DGlcpAb1-4DGlcpNAca1-4DGlcpAb1-4DGlcpNAca1-4DGlcpAb1-4DGlcpNAca1-4DGlcpAb1-4DGlcpNAca1-4DGlcpAb1-OH",
        "iupac": "GlcNAc(a1-4)GlcA(b1-4)GlcNAc(a1-4)GlcA(b1-4)GlcNAc(a1-4)GlcA(b1-4)GlcNAc(a1-4)GlcA(b1-4)GlcNAc(a1-4)GlcA(b1-",
        "iupac_extended": null,
        "glytoucan": null,
        "wurcs": null
    },
    "search_meta": {
        "common_names": [],
        "description": "",
        "keywords": [
            "GAG"
        ]
    }
}