Solution structure of a 12-mer peptide bearing a bicyclic Asx motif mimic (BAMM) as a synthetic N-cap
ID | Entity ID | Seq ID | Comp ID | Atom ID | Atom type | Val | Val err | Ambig. code |
---|---|---|---|---|---|---|---|---|
1 | 1 | 1 | TRP | HA | H | 4.29 | 1 | |
2 | 1 | 1 | TRP | HB2 | H | 3.36 | ||
3 | 1 | 1 | TRP | HB3 | H | 3.36 | ||
4 | 1 | 1 | TRP | HD1 | H | 7.30 | 1 | |
5 | 1 | 1 | TRP | HE1 | H | 10.2 | 1 | |
6 | 1 | 1 | TRP | HE3 | H | 7.66 | 1 | |
7 | 1 | 1 | TRP | HZ2 | H | 7.51 | 1 | |
8 | 1 | 1 | TRP | HZ3 | H | 7.17 | 1 | |
9 | 1 | 1 | TRP | HH2 | H | 7.25 | 1 | |
10 | 1 | 2 | CYS | H | H | 7.68 | 1 | |
11 | 1 | 2 | CYS | HA | H | 3.47 | 1 | |
12 | 1 | 2 | CYS | HB2 | H | 2.47 | ||
13 | 1 | 2 | CYS | HB3 | H | 2.79 | ||
14 | 1 | 3 | ASP | H | H | 7.24 | 1 | |
15 | 1 | 3 | ASP | HA | H | 4.46 | 1 | |
16 | 1 | 3 | ASP | HB2 | H | 2.78 | ||
17 | 1 | 3 | ASP | HB3 | H | 2.93 | ||
18 | 1 | 4 | ALA | H | H | 8.38 | 1 | |
19 | 1 | 4 | ALA | HA | H | 3.82 | 1 | |
20 | 1 | 4 | ALA | HB1 | H | 1.33 | 1 | |
21 | 1 | 4 | ALA | HB2 | H | 1.33 | 1 | |
22 | 1 | 4 | ALA | HB3 | H | 1.33 | 1 | |
23 | 1 | 5 | ALA | H | H | 7.93 | 1 | |
24 | 1 | 5 | ALA | HA | H | 4.02 | 1 | |
25 | 1 | 5 | ALA | HB1 | H | 1.37 | 1 | |
26 | 1 | 5 | ALA | HB2 | H | 1.37 | 1 | |
27 | 1 | 5 | ALA | HB3 | H | 1.37 | 1 | |
28 | 1 | 6 | CYS | H | H | 7.64 | 1 | |
29 | 1 | 6 | CYS | HA | H | 4.21 | 1 | |
30 | 1 | 6 | CYS | HB2 | H | 2.62 | ||
31 | 1 | 6 | CYS | HB3 | H | 2.80 | ||
32 | 1 | 7 | CYS | H | H | 7.71 | 1 | |
33 | 1 | 7 | CYS | HA | H | 4.44 | 1 | |
34 | 1 | 7 | CYS | HB2 | H | 2.60 | ||
35 | 1 | 7 | CYS | HB3 | H | 3.23 | ||
36 | 1 | 8 | ALA | H | H | 8.14 | 1 | |
37 | 1 | 8 | ALA | HA | H | 4.11 | 1 | |
38 | 1 | 8 | ALA | HB1 | H | 1.43 | 1 | |
39 | 1 | 8 | ALA | HB2 | H | 1.43 | 1 | |
40 | 1 | 8 | ALA | HB3 | H | 1.43 | 1 | |
41 | 1 | 9 | ALA | H | H | 7.83 | 1 | |
42 | 1 | 9 | ALA | HA | H | 4.16 | 1 | |
43 | 1 | 9 | ALA | HB1 | H | 1.52 | 1 | |
44 | 1 | 9 | ALA | HB2 | H | 1.52 | 1 | |
45 | 1 | 9 | ALA | HB3 | H | 1.52 | 1 | |
46 | 1 | 10 | ALA | H | H | 7.97 | 1 | |
47 | 1 | 10 | ALA | HA | H | 4.19 | 1 | |
48 | 1 | 10 | ALA | HB1 | H | 1.50 | 1 | |
49 | 1 | 10 | ALA | HB2 | H | 1.50 | 1 | |
50 | 1 | 10 | ALA | HB3 | H | 1.50 | 1 | |
51 | 1 | 11 | LYS | H | H | 7.73 | 1 | |
52 | 1 | 11 | LYS | HA | H | 4.17 | 1 | |
53 | 1 | 11 | LYS | HB2 | H | 1.85 | ||
54 | 1 | 11 | LYS | HB3 | H | 1.88 | ||
55 | 1 | 11 | LYS | HG2 | H | 1.46 | ||
56 | 1 | 11 | LYS | HG3 | H | 1.54 | ||
57 | 1 | 11 | LYS | HD2 | H | 1.66 | ||
58 | 1 | 11 | LYS | HD3 | H | 1.66 | ||
59 | 1 | 11 | LYS | HE2 | H | 2.96 | ||
60 | 1 | 11 | LYS | HE3 | H | 2.96 | ||
61 | 1 | 11 | LYS | HZ1 | H | 7.52 | 1 | |
62 | 1 | 11 | LYS | HZ2 | H | 7.52 | 1 | |
63 | 1 | 11 | LYS | HZ3 | H | 7.52 | 1 | |
64 | 1 | 12 | ALA | H | H | 7.71 | 1 | |
65 | 1 | 12 | ALA | HA | H | 4.21 | 1 | |
66 | 1 | 12 | ALA | HB1 | H | 1.43 | 1 | |
67 | 1 | 12 | ALA | HB2 | H | 1.43 | 1 | |
68 | 1 | 12 | ALA | HB3 | H | 1.43 | 1 | |
69 | 1 | 13 | NH2 | HN1 | H | 6.92 | 1 | |
70 | 1 | 13 | NH2 | HN2 | H | 7.21 | 1 | |
71 | 2 | 1 | ZBR | H8 | H | 3.52 | 1 | |
72 | 2 | 1 | ZBR | H8A | H | 3.64 | 1 | |
73 | 2 | 1 | ZBR | H7 | H | 3.55 | 1 | |
74 | 2 | 1 | ZBR | H7A | H | 3.71 | 1 | |
75 | 2 | 1 | ZBR | H9 | H | 3.81 | 1 | |
76 | 2 | 1 | ZBR | H9A | H | 3.51 | 1 | |
77 | 2 | 1 | ZBR | H4 | H | 6.97 | 1 | |
78 | 2 | 1 | ZBR | H2 | H | 6.70 | 1 | |
79 | 2 | 1 | ZBR | H6 | H | 6.60 | 1 |