Backbone Dialkylation in Peptide Hairpins: (R)-Ethylpropylglycine variant
ID | Entity ID | Seq ID | Comp ID | Atom ID | Atom type | Val | Val err | Ambig. code |
---|---|---|---|---|---|---|---|---|
1 | 1 | 1 | GLY | HA2 | H | 3.768 | 2 | |
2 | 1 | 1 | GLY | HA3 | H | 3.650 | 2 | |
3 | 1 | 2 | GLU | HA | H | 4.415 | 1 | |
4 | 1 | 2 | GLU | HB2 | H | 1.988 | 2 | |
5 | 1 | 2 | GLU | HB3 | H | 1.849 | 2 | |
6 | 1 | 2 | GLU | HG2 | H | 2.163 | 1 | |
7 | 1 | 2 | GLU | HG3 | H | 2.163 | 1 | |
8 | 1 | 3 | TRP | H | H | 8.378 | 1 | |
9 | 1 | 3 | TRP | HA | H | 4.638 | 1 | |
10 | 1 | 3 | TRP | HB2 | H | 3.211 | 2 | |
11 | 1 | 3 | TRP | HB3 | H | 3.092 | 2 | |
12 | 1 | 3 | TRP | HD1 | H | 7.057 | 1 | |
13 | 1 | 3 | TRP | HE1 | H | 9.838 | 1 | |
14 | 1 | 3 | TRP | HE3 | H | 7.279 | 1 | |
15 | 1 | 3 | TRP | HZ2 | H | 7.307 | 1 | |
16 | 1 | 3 | TRP | HZ3 | H | 7.005 | 1 | |
17 | 1 | 3 | TRP | HH2 | H | 7.123 | 1 | |
18 | 1 | 4 | ALA | H | H | 8.291 | 1 | |
19 | 1 | 4 | ALA | HA | H | 4.370 | 1 | |
20 | 1 | 4 | ALA | HB1 | H | 1.231 | 1 | |
21 | 1 | 4 | ALA | HB2 | H | 1.231 | 1 | |
22 | 1 | 4 | ALA | HB3 | H | 1.231 | 1 | |
23 | 1 | 5 | TYR | H | H | 8.022 | 1 | |
24 | 1 | 5 | TYR | HA | H | 4.197 | 1 | |
25 | 1 | 5 | TYR | HB2 | H | 2.698 | 2 | |
26 | 1 | 5 | TYR | HB3 | H | 2.665 | 2 | |
27 | 1 | 5 | TYR | HD1 | H | 6.664 | 1 | |
28 | 1 | 5 | TYR | HD2 | H | 6.664 | 1 | |
29 | 1 | 5 | TYR | HE1 | H | 6.623 | 1 | |
30 | 1 | 5 | TYR | HE2 | H | 6.623 | 1 | |
31 | 1 | 6 | ASN | H | H | 8.027 | 1 | |
32 | 1 | 6 | ASN | HA | H | 4.852 | 1 | |
33 | 1 | 6 | ASN | HB2 | H | 3.017 | 2 | |
34 | 1 | 6 | ASN | HB3 | H | 2.453 | 2 | |
35 | 1 | 6 | ASN | HD21 | H | 7.037 | 2 | |
36 | 1 | 6 | ASN | HD22 | H | 7.412 | 2 | |
37 | 1 | 7 | PRO | HA | H | 4.127 | 1 | |
38 | 1 | 7 | PRO | HB2 | H | 2.304 | 2 | |
39 | 1 | 7 | PRO | HB3 | H | 1.964 | 2 | |
40 | 1 | 7 | PRO | HG2 | H | 1.970 | 1 | |
41 | 1 | 7 | PRO | HG3 | H | 1.970 | 1 | |
42 | 1 | 7 | PRO | HD2 | H | 3.720 | 2 | |
43 | 1 | 7 | PRO | HD3 | H | 3.638 | 2 | |
44 | 1 | 8 | ALA | H | H | 7.975 | 1 | |
45 | 1 | 8 | ALA | HA | H | 4.238 | 1 | |
46 | 1 | 8 | ALA | HB1 | H | 1.395 | 1 | |
47 | 1 | 8 | ALA | HB2 | H | 1.395 | 1 | |
48 | 1 | 8 | ALA | HB3 | H | 1.395 | 1 | |
49 | 1 | 9 | THR | H | H | 7.415 | 1 | |
50 | 1 | 9 | THR | HA | H | 4.305 | 1 | |
51 | 1 | 9 | THR | HB | H | 4.219 | 1 | |
52 | 1 | 9 | THR | HG21 | H | 1.116 | 1 | |
53 | 1 | 9 | THR | HG22 | H | 1.116 | 1 | |
54 | 1 | 9 | THR | HG23 | H | 1.116 | 1 | |
55 | 1 | 10 | GLY | H | H | 8.237 | 1 | |
56 | 1 | 10 | GLY | HA2 | H | 3.921 | 2 | |
57 | 1 | 10 | GLY | HA3 | H | 3.748 | 2 | |
58 | 1 | 11 | LYS | H | H | 7.562 | 1 | |
59 | 1 | 11 | LYS | HA | H | 4.348 | 1 | |
60 | 1 | 11 | LYS | HB2 | H | 1.697 | 2 | |
61 | 1 | 11 | LYS | HB3 | H | 1.517 | 2 | |
62 | 1 | 11 | LYS | HG2 | H | 1.234 | 2 | |
63 | 1 | 11 | LYS | HG3 | H | 1.190 | 2 | |
64 | 1 | 11 | LYS | HD2 | H | 1.536 | 1 | |
65 | 1 | 11 | LYS | HD3 | H | 1.536 | 1 | |
66 | 1 | 11 | LYS | HE2 | H | 2.881 | 1 | |
67 | 1 | 11 | LYS | HE3 | H | 2.881 | 1 | |
68 | 1 | 12 | PHE | H | H | 8.193 | 1 | |
69 | 1 | 12 | PHE | HA | H | 4.710 | 1 | |
70 | 1 | 12 | PHE | HB2 | H | 2.560 | 2 | |
71 | 1 | 12 | PHE | HB3 | H | 2.533 | 2 | |
72 | 1 | 12 | PHE | HD1 | H | 7.076 | 1 | |
73 | 1 | 12 | PHE | HD2 | H | 7.076 | 1 | |
74 | 1 | 12 | PHE | HE1 | H | 7.301 | 1 | |
75 | 1 | 12 | PHE | HE2 | H | 7.301 | 1 | |
76 | 1 | 12 | PHE | HZ | H | 7.225 | 1 | |
77 | 1 | 13 | X6E | H1 | H | 8.069 | 1 | |
78 | 1 | 13 | X6E | HB11 | H | 1.612 | 2 | |
79 | 1 | 13 | X6E | HB12 | H | 1.925 | 2 | |
80 | 1 | 13 | X6E | HB21 | H | 1.809 | 2 | |
81 | 1 | 13 | X6E | HB22 | H | 1.882 | 2 | |
82 | 1 | 13 | X6E | HD11 | H | 0.700 | 1 | |
83 | 1 | 13 | X6E | HG11 | H | 0.514 | 2 | |
84 | 1 | 13 | X6E | HG12 | H | 0.699 | 2 | |
85 | 1 | 13 | X6E | HG21 | H | 0.614 | 1 | |
86 | 1 | 14 | TRP | H | H | 7.590 | 1 | |
87 | 1 | 14 | TRP | HA | H | 4.915 | 1 | |
88 | 1 | 14 | TRP | HB2 | H | 3.280 | 2 | |
89 | 1 | 14 | TRP | HB3 | H | 3.179 | 2 | |
90 | 1 | 14 | TRP | HD1 | H | 7.190 | 1 | |
91 | 1 | 14 | TRP | HE1 | H | 10.184 | 1 | |
92 | 1 | 14 | TRP | HE3 | H | 7.488 | 1 | |
93 | 1 | 14 | TRP | HZ2 | H | 7.380 | 1 | |
94 | 1 | 14 | TRP | HZ3 | H | 7.077 | 1 | |
95 | 1 | 14 | TRP | HH2 | H | 7.155 | 1 | |
96 | 1 | 15 | THR | H | H | 8.199 | 1 | |
97 | 1 | 15 | THR | HA | H | 4.322 | 1 | |
98 | 1 | 15 | THR | HB | H | 4.189 | 1 | |
99 | 1 | 15 | THR | HG21 | H | 1.104 | 1 | |
100 | 1 | 15 | THR | HG22 | H | 1.104 | 1 | |
101 | 1 | 15 | THR | HG23 | H | 1.104 | 1 | |
102 | 1 | 16 | GLU | H | H | 8.166 | 1 | |
103 | 1 | 16 | GLU | HA | H | 4.223 | 1 | |
104 | 1 | 16 | GLU | HB2 | H | 2.071 | 2 | |
105 | 1 | 16 | GLU | HB3 | H | 1.914 | 2 | |
106 | 1 | 16 | GLU | HG2 | H | 2.252 | 1 | |
107 | 1 | 16 | GLU | HG3 | H | 2.252 | 1 | |
108 | 1 | 17 | NH2 | HN1 | H | 7.112 | 2 | |
109 | 1 | 17 | NH2 | HN2 | H | 7.526 | 2 |