{
    "archetype": {
        "ID": "GS00028",
        "name": "DGlcpNAcb1-6[DGlcpNAcb1-2]DManpa1-6[DGlcpNAcb1-2DManpa1-3]DManpb1-4DGlcpNAcb1-4[LFucpa1-6]DGlcpNAcb1-OH",
        "glycam": "DGlcpNAcb1-6[DGlcpNAcb1-2]DManpa1-6[DGlcpNAcb1-2DManpa1-3]DManpb1-4DGlcpNAcb1-4[LFucpa1-6]DGlcpNAc",
        "iupac": "GlcNAc(b1-2)Man(a1-3)[GlcNAc(b1-2)[GlcNAc(b1-6)]Man(a1-6)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]GlcNAc",
        "iupac_extended": "β-D-GlcpNAc-(1→2)-α-D-Manp-(1→3)[β-D-GlcpNAc-(1→2)[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": "G87309GS",
        "wurcs": "WURCS=2.0/5,9,8/[u2122h_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a1221m-1a_1-5]/1-2-3-4-2-4-2-2-5/a4-b1_a6-i1_b4-c1_c3-d1_c6-f1_d2-e1_f2-g1_f6-h1",
        "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:a-dman-HEX-1:5\n10b:b-dglc-HEX-1:5\n11s:n-acetyl\n12b:b-dglc-HEX-1:5\n13s:n-acetyl\n14b: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\n8:5o(6+1)9d\n9:9o(2+1)10d\n10:10d(2+1)11n\n11:9o(6+1)12d\n12:12d(2+1)13n\n13:1o(6+1)14d\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](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](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](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": "FA3",
        "mass": 1665.62,
        "motifs": [
            {
                "motif": "G00030MO",
                "motif_label": "N-Glycan complex"
            }
        ],
        "termini": [
            "GlcNAc(b1-2)",
            "Fuc(a1-6)",
            "GlcNAc(b1-6)"
        ],
        "components": {
            "GlcNAc": 5,
            "Man": 3,
            "Fuc": 1
        },
        "composition": {
            "Hex": 3,
            "HexNAc": 5,
            "dHex": 1
        },
        "rot_bonds": 29,
        "hbond_donor": 28,
        "hbond_acceptor": 45,
        "entropy": 13.177822072351569,
        "clusters": {
            "Cluster 0": 37.71,
            "Cluster 1": 23.55,
            "Cluster 2": 20.19,
            "Cluster 3": 16.2,
            "Cluster 4": 2.36
        },
        "coverage_clusters": {
            "Cluster 0": 19.485,
            "Cluster 1": 14.2475,
            "Cluster 2": 14.0175,
            "Cluster 3": 12.5525,
            "Cluster 4": 8.4375,
            "Cluster 5": 6.2575,
            "Cluster 6": 5.565,
            "Cluster 7": 4.7625,
            "Cluster 8": 3.5275,
            "Cluster 9": 1.795,
            "Cluster 10": 1.5975,
            "Cluster 11": 1.43,
            "Cluster 12": 1.315,
            "Cluster 13": 1.2225,
            "Cluster 14": 1.1275,
            "Cluster 15": 0.6375,
            "Cluster 16": 0.56,
            "Cluster 17": 0.325,
            "Cluster 18": 0.2975,
            "Cluster 19": 0.2475,
            "Cluster 20": 0.1725,
            "Cluster 21": 0.1625,
            "Cluster 22": 0.1475,
            "Cluster 23": 0.075,
            "Cluster 24": 0.0275,
            "Cluster 25": 0.0075
        },
        "silhouette_scores": {
            "2": 0.39396037508507215,
            "3": 0.4003864077136917,
            "4": 0.31660669985534795,
            "5": 0.32120979460731447,
            "6": 0.26027286838142566,
            "7": 0.2582030226519418,
            "8": 0.2431629844465906
        },
        "coverage_clusters_per_main": {
            "0": [
                0,
                6,
                9,
                12,
                20
            ],
            "1": [
                1,
                3,
                7,
                17,
                19,
                24
            ],
            "2": [
                13,
                18
            ],
            "3": [
                2,
                8,
                11,
                14,
                15
            ],
            "4": [
                4,
                5,
                10,
                16,
                21,
                22,
                23,
                25
            ]
        },
        "pca_variance": {
            "explained_variance_ratio": [
                0.16435351214634783,
                0.08005812440067445,
                0.06177761366546215,
                0.054544545514404845,
                0.05053398818224614,
                0.04557588339036639,
                0.03670351765213458,
                0.031751056716865234,
                0.028617413757089243,
                0.02277162591157004
            ],
            "cumulative_variance": [
                0.16435351214634783,
                0.24441163654702228,
                0.30618925021248444,
                0.3607337957268893,
                0.41126778390913543,
                0.4568436672995018,
                0.4935471849516364,
                0.5252982416685017,
                0.553915655425591,
                0.576687281337161
            ],
            "n_components": 10
        },
        "length": 4.0,
        "package": "AMBER",
        "forcefield": "GLYCAM_06j",
        "temperature": 300.0,
        "pressure": 1.0,
        "salt": "200"
    },
    "alpha": {
        "ID": "GS00028",
        "name": "DGlcpNAcb1-6[DGlcpNAcb1-2]DManpa1-6[DGlcpNAcb1-2DManpa1-3]DManpb1-4DGlcpNAcb1-4[LFucpa1-6]DGlcpNAcb1-OH",
        "glycam": "DGlcpNAcb1-6[DGlcpNAcb1-2]DManpa1-6[DGlcpNAcb1-2DManpa1-3]DManpb1-4DGlcpNAcb1-4[LFucpa1-6]DGlcpNAca1-OH",
        "iupac": "GlcNAc(b1-2)Man(a1-3)[GlcNAc(b1-2)[GlcNAc(b1-6)]Man(a1-6)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]GlcNAc(a1-",
        "iupac_extended": "β-D-GlcpNAc-(1→2)-α-D-Manp-(1→3)[β-D-GlcpNAc-(1→2)[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": "G63038RA",
        "wurcs": "WURCS=2.0/5,9,8/[a2122h-1a_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a1221m-1a_1-5]/1-2-3-4-2-4-2-2-5/a4-b1_a6-i1_b4-c1_c3-d1_c6-f1_d2-e1_f2-g1_f6-h1"
    },
    "beta": {
        "ID": "GS00028",
        "name": "DGlcpNAcb1-6[DGlcpNAcb1-2]DManpa1-6[DGlcpNAcb1-2DManpa1-3]DManpb1-4DGlcpNAcb1-4[LFucpa1-6]DGlcpNAcb1-OH",
        "glycam": "DGlcpNAcb1-6[DGlcpNAcb1-2]DManpa1-6[DGlcpNAcb1-2DManpa1-3]DManpb1-4DGlcpNAcb1-4[LFucpa1-6]DGlcpNAcb1-OH",
        "iupac": "GlcNAc(b1-2)Man(a1-3)[GlcNAc(b1-2)[GlcNAc(b1-6)]Man(a1-6)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]GlcNAc(b1-",
        "iupac_extended": "β-D-GlcpNAc-(1→2)-α-D-Manp-(1→3)[β-D-GlcpNAc-(1→2)[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": "G80393PG",
        "wurcs": "WURCS=2.0/4,9,8/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a1221m-1a_1-5]/1-1-2-3-1-3-1-1-4/a4-b1_a6-i1_b4-c1_c3-d1_c6-f1_d2-e1_f2-g1_f6-h1"
    },
    "search_meta": {
        "common_names": [
            "FA3"
        ],
        "description": "",
        "keywords": [
            "Fucosylated N-Glycan",
            "N-Glycan"
        ]
    }
}