{
    "archetype": {
        "ID": "GS00019",
        "name": "DNeup5Gca2-6DGalpb1-4DGlcpNAcb1-2DManpa1-3[DGlcpNAcb1-2DManpa1-6]DManpb1-4DGlcpNAcb1-4DGlcpNAca1-OH",
        "glycam": "DNeup5Gca2-6DGalpb1-4DGlcpNAcb1-2DManpa1-3[DGlcpNAcb1-2DManpa1-6]DManpb1-4DGlcpNAcb1-4DGlcpNAc",
        "iupac": "Neu5Gc(a2-6)Gal(b1-4)GlcNAc(b1-2)Man(a1-3)[GlcNAc(b1-2)Man(a1-6)]Man(b1-4)GlcNAc(b1-4)GlcNAc",
        "iupac_extended": "α-D-Neup5Gc-(2→6)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→2)-α-D-Manp-(1→3)[β-D-GlcpNAc-(1→2)-α-D-Manp-(1→6)]-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-D-GlcNAc",
        "glytoucan": "G23023HU",
        "wurcs": "WURCS=2.0/6,9,8/[u2122h_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCCO/3=O]/1-2-3-4-2-5-6-4-2/a4-b1_b4-c1_c3-d1_c6-h1_d2-e1_e4-f1_f6-g2_h2-i1",
        "glycoct": "RES\n1b:b-dglc-HEX-1:5\n2s:n-acetyl\n3b:b-dglc-HEX-1:5\n4s:n-acetyl\n5b:b-dman-HEX-1:5\n6b:a-dman-HEX-1:5\n7b:b-dglc-HEX-1:5\n8s:n-acetyl\n9b:b-dgal-HEX-1:5\n10b:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d\n11s:n-glycolyl\n12b:a-dman-HEX-1:5\n13b:b-dglc-HEX-1:5\n14s:n-acetyl\nLIN\n1:1d(2+1)2n\n2:1o(4+1)3d\n3:3d(2+1)4n\n4:3o(4+1)5d\n5:5o(3+1)6d\n6:6o(2+1)7d\n7:7d(2+1)8n\n8:7o(4+1)9d\n9:9o(6+2)10d\n10:10d(5+1)11n\n11:5o(6+1)12d\n12:12o(2+1)13d\n13:13d(2+1)14n\n",
        "smiles": "O1C(O)[C@H](NC(C)=O)[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5NC(C)=O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO[C@]7(C(=O)O)C[C@H](O)[C@@H](NC(=O)CO)[C@H]([C@H](O)[C@H](O)CO)O7)[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5NC(C)=O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@H]1CO",
        "oxford": null,
        "mass": 1785.63,
        "motifs": [
            {
                "motif": "G00030MO",
                "motif_label": "N-Glycan complex"
            },
            {
                "motif": "G00055MO",
                "motif_label": "Type 2 LN"
            },
            {
                "motif": "G00055MO",
                "motif_label": "N-acetyllactosamine"
            }
        ],
        "termini": [
            "GlcNAc(b1-2)",
            "Neu5Gc(a2-6)"
        ],
        "components": {
            "GlcNAc": 4,
            "Man": 3,
            "Neu5Gc": 1,
            "Gal": 1
        },
        "composition": {
            "Hex": 4,
            "HexNAc": 4,
            "Neu5Gc": 1
        },
        "rot_bonds": 1,
        "hbond_donor": 5,
        "hbond_acceptor": 6,
        "entropy": 13.578370580203336,
        "clusters": {
            "Cluster 0": 29.72,
            "Cluster 1": 24.68,
            "Cluster 2": 18.22,
            "Cluster 3": 17.02,
            "Cluster 4": 10.36
        },
        "coverage_clusters": {
            "Cluster 0": 19.6043,
            "Cluster 1": 14.1273,
            "Cluster 2": 9.9228,
            "Cluster 3": 7.9567,
            "Cluster 4": 7.063,
            "Cluster 5": 6.3331,
            "Cluster 6": 3.3759,
            "Cluster 7": 3.3072,
            "Cluster 8": 3.2984,
            "Cluster 9": 2.9097,
            "Cluster 10": 2.8235,
            "Cluster 11": 2.3085,
            "Cluster 12": 1.9048,
            "Cluster 13": 1.7273,
            "Cluster 14": 1.6811,
            "Cluster 15": 1.6198,
            "Cluster 16": 1.4336,
            "Cluster 17": 1.3349,
            "Cluster 18": 1.1561,
            "Cluster 19": 1.1474,
            "Cluster 20": 1.1036,
            "Cluster 21": 0.9987,
            "Cluster 22": 0.8724,
            "Cluster 23": 0.7737,
            "Cluster 24": 0.7387,
            "Cluster 25": 0.2375,
            "Cluster 26": 0.21,
            "Cluster 27": 0.03
        },
        "silhouette_scores": {
            "2": 0.43158670921810566,
            "3": 0.3588668879014211,
            "4": 0.3325790721785507,
            "5": 0.303202285345029,
            "6": 0.29323713091414066,
            "7": 0.24061436524995045,
            "8": 0.24991580708883745
        },
        "coverage_clusters_per_main": {
            "0": [
                2,
                4,
                9,
                13,
                15,
                26,
                27
            ],
            "1": [
                7,
                14,
                16
            ],
            "2": [
                5,
                6,
                11,
                19,
                21,
                25
            ],
            "3": [
                1,
                3,
                8,
                12,
                20,
                22
            ],
            "4": [
                0,
                10,
                17,
                18,
                23,
                24
            ]
        },
        "pca_variance": {
            "explained_variance_ratio": [
                0.21062201203287406,
                0.08399851794237596,
                0.07812276284223975,
                0.0624928098734692,
                0.04590484636940545,
                0.03587936497773684,
                0.02572732836264793,
                0.024457574330042944,
                0.02128763926594429,
                0.018215600215338048
            ],
            "cumulative_variance": [
                0.21062201203287406,
                0.29462052997525,
                0.37274329281748975,
                0.43523610269095897,
                0.4811409490603644,
                0.5170203140381012,
                0.5427476424007491,
                0.567205216730792,
                0.5884928559967364,
                0.6067084562120745
            ],
            "n_components": 10
        },
        "length": 4.0,
        "package": "GROMACS",
        "forcefield": "GLYCAM_06j",
        "temperature": 300.0,
        "pressure": 1.0,
        "salt": "150"
    },
    "alpha": {
        "ID": "GS00019",
        "name": "DNeup5Gca2-6DGalpb1-4DGlcpNAcb1-2DManpa1-3[DGlcpNAcb1-2DManpa1-6]DManpb1-4DGlcpNAcb1-4DGlcpNAca1-OH",
        "glycam": "DNeup5Gca2-6DGalpb1-4DGlcpNAcb1-2DManpa1-3[DGlcpNAcb1-2DManpa1-6]DManpb1-4DGlcpNAcb1-4DGlcpNAca1-OH",
        "iupac": "Neu5Gc(a2-6)Gal(b1-4)GlcNAc(b1-2)Man(a1-3)[GlcNAc(b1-2)Man(a1-6)]Man(b1-4)GlcNAc(b1-4)GlcNAc(a1-",
        "iupac_extended": "α-D-Neup5Gc-(2→6)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→2)-α-D-Manp-(1→3)[β-D-GlcpNAc-(1→2)-α-D-Manp-(1→6)]-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-α-D-GlcpNAc-(1→",
        "glytoucan": "G93053DY",
        "wurcs": "WURCS=2.0/6,9,8/[a2122h-1a_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCCO/3=O]/1-2-3-4-2-5-6-4-2/a4-b1_b4-c1_c3-d1_c6-h1_d2-e1_e4-f1_f6-g2_h2-i1"
    },
    "beta": {
        "ID": "GS00019",
        "name": "DNeup5Gca2-6DGalpb1-4DGlcpNAcb1-2DManpa1-3[DGlcpNAcb1-2DManpa1-6]DManpb1-4DGlcpNAcb1-4DGlcpNAca1-OH",
        "glycam": "DNeup5Gca2-6DGalpb1-4DGlcpNAcb1-2DManpa1-3[DGlcpNAcb1-2DManpa1-6]DManpb1-4DGlcpNAcb1-4DGlcpNAcb1-OH",
        "iupac": "Neu5Gc(a2-6)Gal(b1-4)GlcNAc(b1-2)Man(a1-3)[GlcNAc(b1-2)Man(a1-6)]Man(b1-4)GlcNAc(b1-4)GlcNAc(b1-",
        "iupac_extended": "α-D-Neup5Gc-(2→6)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→2)-α-D-Manp-(1→3)[β-D-GlcpNAc-(1→2)-α-D-Manp-(1→6)]-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-β-D-GlcpNAc-(1→",
        "glytoucan": "G30370YC",
        "wurcs": "WURCS=2.0/5,9,8/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCCO/3=O]/1-1-2-3-1-4-5-3-1/a4-b1_b4-c1_c3-d1_c6-h1_d2-e1_e4-f1_f6-g2_h2-i1"
    },
    "search_meta": {
        "common_names": [],
        "description": "",
        "keywords": [
            "Biantennary N-Glycan",
            "Complex N-Glycan",
            "N-Glycan"
        ]
    }
}