Solution structure of Lactodifucotetraose (LDFT) beta anomer
ID | Type | Value order | Atom ID 1 | Atom ID 2 |
---|---|---|---|---|
1 | covalent | sing | 1:BGC1:O4 | 1:GAL2:C1 |
2 | covalent | sing | 1:GAL2:O2 | 1:FUC3:C1 |
3 | covalent | sing | 1:BGC1:O3 | 1:FUC4:C1 |
ID | Entity ID | Seq ID | Comp ID | Atom ID | Atom type | Val | Val err | Ambig. code |
---|---|---|---|---|---|---|---|---|
1 | 1 | 1 | BGC | C1 | C | 98.600 | 0.050 | 1 |
2 | 1 | 1 | BGC | C2 | C | 78.253 | 0.050 | 1 |
3 | 1 | 1 | BGC | C3 | C | 79.797 | 0.050 | 1 |
4 | 1 | 1 | BGC | C4 | C | 75.305 | 0.050 | 1 |
5 | 1 | 1 | BGC | C5 | C | 78.273 | 0.050 | 1 |
6 | 1 | 1 | BGC | C6 | C | 62.547 | 0.050 | 1 |
7 | 1 | 1 | BGC | H1 | H | 4.615 | 0.005 | 1 |
8 | 1 | 1 | BGC | H2 | H | 3.469 | 0.005 | 1 |
9 | 1 | 1 | BGC | H3 | H | 3.695 | 0.005 | 1 |
10 | 1 | 1 | BGC | H4 | H | 3.866 | 0.005 | 1 |
11 | 1 | 1 | BGC | H5 | H | 3.461 | 0.005 | 1 |
12 | 1 | 1 | BGC | H6C1 | H | 3.980 | 0.005 | 2 |
13 | 1 | 1 | BGC | H6C2 | H | 3.785 | 0.005 | 2 |
14 | 1 | 2 | GAL | C1 | C | 102.831 | 0.050 | 1 |
15 | 1 | 2 | GAL | C2 | C | 78.877 | 0.050 | 1 |
16 | 1 | 2 | GAL | C3 | C | 76.259 | 0.050 | 1 |
17 | 1 | 2 | GAL | C4 | C | 71.447 | 0.050 | 1 |
18 | 1 | 2 | GAL | C5 | C | 77.619 | 0.050 | 1 |
19 | 1 | 2 | GAL | C6 | C | 64.269 | 0.050 | 1 |
20 | 1 | 2 | GAL | H1 | H | 4.494 | 0.005 | 1 |
21 | 1 | 2 | GAL | H2 | H | 3.628 | 0.005 | 1 |
22 | 1 | 2 | GAL | H3 | H | 3.842 | 0.005 | 1 |
23 | 1 | 2 | GAL | H4 | H | 3.839 | 0.005 | 1 |
24 | 1 | 2 | GAL | H5 | H | 3.577 | 0.005 | 1 |
25 | 1 | 2 | GAL | H61 | H | 3.740 | 0.005 | 2 |
26 | 1 | 2 | GAL | H62 | H | 3.704 | 0.005 | 2 |
27 | 1 | 3 | FUC | C1 | C | 101.959 | 0.050 | 1 |
28 | 1 | 3 | FUC | C2 | C | 70.823 | 0.050 | 1 |
29 | 1 | 3 | FUC | C3 | C | 72.298 | 0.050 | 1 |
30 | 1 | 3 | FUC | C4 | C | 74.301 | 0.050 | 1 |
31 | 1 | 3 | FUC | C5 | C | 69.586 | 0.050 | 1 |
32 | 1 | 3 | FUC | C6 | C | 18.108 | 0.050 | 1 |
33 | 1 | 3 | FUC | H1 | H | 5.286 | 0.005 | 1 |
34 | 1 | 3 | FUC | H2 | H | 3.774 | 0.005 | 1 |
35 | 1 | 3 | FUC | H3 | H | 3.774 | 0.005 | 1 |
36 | 1 | 3 | FUC | H4 | H | 3.811 | 0.005 | 1 |
37 | 1 | 3 | FUC | H5 | H | 4.259 | 0.005 | 1 |
38 | 1 | 3 | FUC | H61 | H | 1.260 | 0.005 | 1 |
39 | 1 | 3 | FUC | H62 | H | 1.260 | 0.005 | 1 |
40 | 1 | 3 | FUC | H63 | H | 1.260 | 0.005 | 1 |
41 | 1 | 4 | FUC | C1 | C | 101.044 | 0.050 | 1 |
42 | 1 | 4 | FUC | C2 | C | 70.680 | 0.050 | 1 |
43 | 1 | 4 | FUC | C3 | C | 71.785 | 0.050 | 1 |
44 | 1 | 4 | FUC | C4 | C | 74.614 | 0.050 | 1 |
45 | 1 | 4 | FUC | C5 | C | 69.422 | 0.050 | 1 |
46 | 1 | 4 | FUC | C6 | C | 18.129 | 0.050 | 1 |
47 | 1 | 4 | FUC | H1 | H | 5.447 | 0.005 | 1 |
48 | 1 | 4 | FUC | H2 | H | 3.790 | 0.005 | 1 |
49 | 1 | 4 | FUC | H3 | H | 3.969 | 0.005 | 1 |
50 | 1 | 4 | FUC | H4 | H | 3.810 | 0.005 | 1 |
51 | 1 | 4 | FUC | H5 | H | 4.885 | 0.005 | 1 |
52 | 1 | 4 | FUC | H61 | H | 1.238 | 0.005 | 1 |
53 | 1 | 4 | FUC | H62 | H | 1.238 | 0.005 | 1 |
54 | 1 | 4 | FUC | H63 | H | 1.238 | 0.005 | 1 |