{
    "archetype": {
        "ID": "GS00020",
        "name": "DGalpb1-4DGlcpNAcb1-6[DGalpb1-4DGlcpNAcb1-2]DManpa1-6[DGalpb1-4DGlcpNAcb1-4[DGalpb1-4DGlcpNAcb1-2]DManpa1-3]DManpb1-4DGlcpNAcb1-4[LFucpa1-6]DGlcpNAcb1-OH",
        "glycam": "DGalpb1-4DGlcpNAcb1-6[DGalpb1-4DGlcpNAcb1-2]DManpa1-6[DGalpb1-4DGlcpNAcb1-4[DGalpb1-4DGlcpNAcb1-2]DManpa1-3]DManpb1-4DGlcpNAcb1-4[LFucpa1-6]DGlcpNAc",
        "iupac": "Gal(b1-4)GlcNAc(b1-2)[Gal(b1-4)GlcNAc(b1-4)]Man(a1-3)[Gal(b1-4)GlcNAc(b1-2)[Gal(b1-4)GlcNAc(b1-6)]Man(a1-6)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]GlcNAc",
        "iupac_extended": "β-D-Galp-(1→4)-β-D-GlcpNAc-(1→2)[β-D-Galp-(1→4)-β-D-GlcpNAc-(1→4)]-α-D-Manp-(1→3)[β-D-Galp-(1→4)-β-D-GlcpNAc-(1→2)[β-D-Galp-(1→4)-β-D-GlcpNAc-(1→6)]-α-D-Manp-(1→6)]-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)[α-L-Fucp-(1→6)]-D-GlcNAc",
        "glytoucan": "G56655CC",
        "wurcs": "WURCS=2.0/6,14,13/[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][a1221m-1a_1-5]/1-2-3-4-2-5-2-5-4-2-5-2-5-6/a4-b1_a6-n1_b4-c1_c3-d1_c6-i1_d2-e1_d4-g1_e4-f1_g4-h1_i2-j1_i6-l1_j4-k1_l4-m1",
        "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:b-dglc-HEX-1:5\n11s:n-acetyl\n12b:b-dgal-HEX-1:5\n13b:a-dman-HEX-1:5\n14b:b-dglc-HEX-1:5\n15s:n-acetyl\n16b:b-dgal-HEX-1:5\n17b:b-dglc-HEX-1:5\n18s:n-acetyl\n19b:b-dgal-HEX-1:5\n20b:a-lgal-HEX-1:5|6:d\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\n9:6o(4+1)10d\n10:10d(2+1)11n\n11:10o(4+1)12d\n12:5o(6+1)13d\n13:13o(2+1)14d\n14:14d(2+1)15n\n15:14o(4+1)16d\n16:13o(6+1)17d\n17:17d(2+1)18n\n18:17o(4+1)19d\n19:1o(6+1)20d\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]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5NC(C)=O)[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@H](O)[C@H](O)[C@H]6O)[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]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5NC(C)=O)[C@H](O)[C@@H]4O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[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[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O",
        "oxford": "FA4G4",
        "mass": 2516.91,
        "motifs": [
            {
                "motif": "G00030MO",
                "motif_label": "N-Glycan complex"
            },
            {
                "motif": "G00055MO",
                "motif_label": "Type 2 LN"
            },
            {
                "motif": "G00055MO",
                "motif_label": "N-acetyllactosamine"
            }
        ],
        "termini": [
            "Gal(b1-4)",
            "Fuc(a1-6)"
        ],
        "components": {
            "GlcNAc": 6,
            "Gal": 4,
            "Man": 3,
            "Fuc": 1
        },
        "composition": {
            "Hex": 7,
            "HexNAc": 6,
            "dHex": 1
        },
        "rot_bonds": 45,
        "hbond_donor": 43,
        "hbond_acceptor": 70,
        "entropy": 13.958781835583563,
        "clusters": {
            "Cluster 0": 30.35,
            "Cluster 1": 20.2,
            "Cluster 2": 19.1,
            "Cluster 3": 18.41,
            "Cluster 4": 11.94
        },
        "coverage_clusters": {
            "Cluster 0": 20.5933,
            "Cluster 1": 12.4467,
            "Cluster 2": 7.1156,
            "Cluster 3": 5.5867,
            "Cluster 4": 5.4644,
            "Cluster 5": 5.4533,
            "Cluster 6": 5.4356,
            "Cluster 7": 3.5578,
            "Cluster 8": 3.1244,
            "Cluster 9": 2.7933,
            "Cluster 10": 2.7067,
            "Cluster 11": 2.6711,
            "Cluster 12": 2.5511,
            "Cluster 13": 2.4867,
            "Cluster 14": 2.1,
            "Cluster 15": 1.9156,
            "Cluster 16": 1.7822,
            "Cluster 17": 1.6222,
            "Cluster 18": 1.4444,
            "Cluster 19": 1.3867,
            "Cluster 20": 1.3822,
            "Cluster 21": 1.3689,
            "Cluster 22": 0.9778,
            "Cluster 23": 0.9,
            "Cluster 24": 0.8444,
            "Cluster 25": 0.7711,
            "Cluster 26": 0.6422,
            "Cluster 27": 0.2622,
            "Cluster 28": 0.2289,
            "Cluster 29": 0.2222,
            "Cluster 30": 0.1622
        },
        "silhouette_scores": {
            "2": 0.39738094422744374,
            "3": 0.2679894241403081,
            "4": 0.2975835216701877,
            "5": 0.309813737849976,
            "6": 0.3626162347127756,
            "7": 0.3218820939373385,
            "8": 0.3549909477610893
        },
        "coverage_clusters_per_main": {
            "0": [
                2,
                6,
                12,
                13,
                17,
                18,
                22,
                24,
                27
            ],
            "1": [
                0,
                19,
                25
            ],
            "2": [
                4,
                9,
                23,
                28,
                30
            ],
            "3": [
                3,
                5,
                8,
                11,
                15,
                20,
                21,
                29
            ],
            "4": [
                1,
                7,
                10,
                14,
                16,
                26
            ]
        },
        "pca_variance": {
            "explained_variance_ratio": [
                0.14681127085811327,
                0.0868858762163066,
                0.07658002649910173,
                0.059381662037274914,
                0.047575098530208734,
                0.04490910510854172,
                0.038983806811740164,
                0.03567959260456092,
                0.03149337836670003,
                0.027382278135810956
            ],
            "cumulative_variance": [
                0.14681127085811327,
                0.23369714707441985,
                0.3102771735735216,
                0.3696588356107965,
                0.41723393414100524,
                0.46214303924954697,
                0.5011268460612871,
                0.536806438665848,
                0.5682998170325481,
                0.595682095168359
            ],
            "n_components": 10
        },
        "length": 4.5,
        "package": "AMBER",
        "forcefield": "GLYCAM_06j",
        "temperature": 300.0,
        "pressure": 1.0,
        "salt": "200"
    },
    "alpha": {
        "ID": "GS00020",
        "name": "DGalpb1-4DGlcpNAcb1-6[DGalpb1-4DGlcpNAcb1-2]DManpa1-6[DGalpb1-4DGlcpNAcb1-4[DGalpb1-4DGlcpNAcb1-2]DManpa1-3]DManpb1-4DGlcpNAcb1-4[LFucpa1-6]DGlcpNAcb1-OH",
        "glycam": "DGalpb1-4DGlcpNAcb1-6[DGalpb1-4DGlcpNAcb1-2]DManpa1-6[DGalpb1-4DGlcpNAcb1-4[DGalpb1-4DGlcpNAcb1-2]DManpa1-3]DManpb1-4DGlcpNAcb1-4[LFucpa1-6]DGlcpNAca1-OH",
        "iupac": "Gal(b1-4)GlcNAc(b1-2)[Gal(b1-4)GlcNAc(b1-4)]Man(a1-3)[Gal(b1-4)GlcNAc(b1-2)[Gal(b1-4)GlcNAc(b1-6)]Man(a1-6)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]GlcNAc(a1-",
        "iupac_extended": "β-D-Galp-(1→4)-β-D-GlcpNAc-(1→2)[β-D-Galp-(1→4)-β-D-GlcpNAc-(1→4)]-α-D-Manp-(1→3)[β-D-Galp-(1→4)-β-D-GlcpNAc-(1→2)[β-D-Galp-(1→4)-β-D-GlcpNAc-(1→6)]-α-D-Manp-(1→6)]-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)[α-L-Fucp-(1→6)]-α-D-GlcpNAc-(1→",
        "glytoucan": "G08467JA",
        "wurcs": "WURCS=2.0/6,14,13/[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][a1221m-1a_1-5]/1-2-3-4-2-5-2-5-4-2-5-2-5-6/a4-b1_a6-n1_b4-c1_c3-d1_c6-i1_d2-e1_d4-g1_e4-f1_g4-h1_i2-j1_i6-l1_j4-k1_l4-m1"
    },
    "beta": {
        "ID": "GS00020",
        "name": "DGalpb1-4DGlcpNAcb1-6[DGalpb1-4DGlcpNAcb1-2]DManpa1-6[DGalpb1-4DGlcpNAcb1-4[DGalpb1-4DGlcpNAcb1-2]DManpa1-3]DManpb1-4DGlcpNAcb1-4[LFucpa1-6]DGlcpNAcb1-OH",
        "glycam": "DGalpb1-4DGlcpNAcb1-6[DGalpb1-4DGlcpNAcb1-2]DManpa1-6[DGalpb1-4DGlcpNAcb1-4[DGalpb1-4DGlcpNAcb1-2]DManpa1-3]DManpb1-4DGlcpNAcb1-4[LFucpa1-6]DGlcpNAcb1-OH",
        "iupac": "Gal(b1-4)GlcNAc(b1-2)[Gal(b1-4)GlcNAc(b1-4)]Man(a1-3)[Gal(b1-4)GlcNAc(b1-2)[Gal(b1-4)GlcNAc(b1-6)]Man(a1-6)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]GlcNAc(b1-",
        "iupac_extended": "β-D-Galp-(1→4)-β-D-GlcpNAc-(1→2)[β-D-Galp-(1→4)-β-D-GlcpNAc-(1→4)]-α-D-Manp-(1→3)[β-D-Galp-(1→4)-β-D-GlcpNAc-(1→2)[β-D-Galp-(1→4)-β-D-GlcpNAc-(1→6)]-α-D-Manp-(1→6)]-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)[α-L-Fucp-(1→6)]-β-D-GlcpNAc-(1→",
        "glytoucan": "G63889NK",
        "wurcs": "WURCS=2.0/5,14,13/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a2112h-1b_1-5][a1221m-1a_1-5]/1-1-2-3-1-4-1-4-3-1-4-1-4-5/a4-b1_a6-n1_b4-c1_c3-d1_c6-i1_d2-e1_d4-g1_e4-f1_g4-h1_i2-j1_i6-l1_j4-k1_l4-m1"
    },
    "search_meta": {
        "common_names": [
            "FA4G4"
        ],
        "description": "",
        "keywords": [
            "Fucosylated N-Glycan",
            "N-Glycan"
        ]
    }
}