Wheat Germ Agglutinin (WGA) domain D
ID | Type | Value order | Atom ID 1 | Atom ID 2 |
---|---|---|---|---|
1 | disulfide | sing | 1:CYS4:SG | 1:CYS19:SG |
2 | disulfide | sing | 1:CYS13:SG | 1:CYS25:SG |
3 | disulfide | sing | 1:CYS18:SG | 1:CYS32:SG |
4 | disulfide | sing | 1:CYS36:SG | 1:CYS41:SG |
ID | Entity ID | Seq ID | Comp ID | Atom ID | Atom type | Val | Val err | Ambig. code |
---|---|---|---|---|---|---|---|---|
1 | 1 | 1 | ASP | H | H | 8.492 | 0.020 | |
2 | 1 | 1 | ASP | HA | H | 4.627 | 0.020 | |
3 | 1 | 1 | ASP | HB2 | H | 2.707 | 0.020 | |
4 | 1 | 2 | LYS | H | H | 8.308 | 0.020 | |
5 | 1 | 2 | LYS | HA | H | 4.632 | 0.020 | |
6 | 1 | 2 | LYS | HB2 | H | 1.883 | 0.020 | |
7 | 1 | 2 | LYS | HB3 | H | 1.728 | 0.020 | |
8 | 1 | 2 | LYS | HG2 | H | 1.470 | 0.020 | |
9 | 1 | 2 | LYS | HG3 | H | 1.540 | 0.020 | |
10 | 1 | 2 | LYS | HD2 | H | 1.622 | 0.020 | |
11 | 1 | 3 | PRO | HA | H | 3.836 | 0.020 | |
12 | 1 | 3 | PRO | HB2 | H | 2.456 | 0.020 | |
13 | 1 | 3 | PRO | HB3 | H | 2.082 | 0.020 | |
14 | 1 | 3 | PRO | HG2 | H | 1.870 | 0.020 | |
15 | 1 | 3 | PRO | HG3 | H | 2.006 | 0.020 | |
16 | 1 | 3 | PRO | HD2 | H | 3.726 | 0.020 | 2 |
17 | 1 | 3 | PRO | HD3 | H | 3.726 | 0.020 | 2 |
18 | 1 | 4 | CYS | H | H | 8.143 | 0.020 | |
19 | 1 | 4 | CYS | HA | H | 4.812 | 0.020 | |
20 | 1 | 4 | CYS | HB2 | H | 3.060 | 0.020 | |
21 | 1 | 4 | CYS | HB3 | H | 2.722 | 0.020 | |
22 | 1 | 5 | GLY | H | H | 8.905 | 0.020 | |
23 | 1 | 5 | GLY | HA2 | H | 3.820 | 0.020 | |
24 | 1 | 5 | GLY | HA3 | H | 3.980 | 0.020 | |
25 | 1 | 6 | LYS | H | H | 9.166 | 0.020 | |
26 | 1 | 6 | LYS | HA | H | 4.023 | 0.020 | |
27 | 1 | 6 | LYS | HB2 | H | 1.944 | 0.020 | |
28 | 1 | 6 | LYS | HB3 | H | 1.837 | 0.020 | |
29 | 1 | 6 | LYS | HG2 | H | 1.508 | 0.020 | |
30 | 1 | 6 | LYS | HG3 | H | 1.430 | 0.020 | |
31 | 1 | 6 | LYS | HD2 | H | 1.646 | 0.020 | |
32 | 1 | 6 | LYS | HE2 | H | 2.990 | 0.020 | 2 |
33 | 1 | 6 | LYS | HE3 | H | 2.990 | 0.020 | 2 |
34 | 1 | 7 | ASP | H | H | 8.730 | 0.020 | |
35 | 1 | 7 | ASP | HA | H | 4.839 | 0.020 | |
36 | 1 | 7 | ASP | HB2 | H | 2.958 | 0.020 | |
37 | 1 | 7 | ASP | HB3 | H | 2.552 | 0.020 | |
38 | 1 | 8 | ALA | H | H | 7.910 | 0.020 | |
39 | 1 | 8 | ALA | HA | H | 4.705 | 0.020 | |
40 | 1 | 8 | ALA | HB1 | H | 1.072 | 0.020 | |
41 | 1 | 8 | ALA | HB2 | H | 1.072 | 0.020 | |
42 | 1 | 8 | ALA | HB3 | H | 1.072 | 0.020 | |
43 | 1 | 9 | GLY | H | H | 8.339 | 0.020 | |
44 | 1 | 9 | GLY | HA2 | H | 3.887 | 0.020 | 2 |
45 | 1 | 9 | GLY | HA3 | H | 3.887 | 0.020 | 2 |
46 | 1 | 10 | GLY | H | H | 8.064 | 0.020 | |
47 | 1 | 10 | GLY | HA2 | H | 3.336 | 0.020 | |
48 | 1 | 10 | GLY | HA3 | H | 4.097 | 0.020 | |
49 | 1 | 11 | ARG | HA | H | 4.151 | 0.020 | |
50 | 1 | 11 | ARG | HB2 | H | 1.994 | 0.020 | |
51 | 1 | 11 | ARG | HB3 | H | 1.800 | 0.020 | |
52 | 1 | 11 | ARG | HG2 | H | 1.719 | 0.020 | 2 |
53 | 1 | 11 | ARG | HG3 | H | 1.719 | 0.020 | 2 |
54 | 1 | 11 | ARG | HD2 | H | 3.270 | 0.020 | 2 |
55 | 1 | 11 | ARG | HD3 | H | 3.270 | 0.020 | 2 |
56 | 1 | 11 | ARG | HE | H | 6.969 | 0.020 | |
57 | 1 | 12 | VAL | H | H | 8.480 | 0.020 | |
58 | 1 | 12 | VAL | HA | H | 4.389 | 0.020 | |
59 | 1 | 12 | VAL | HB | H | 2.286 | 0.020 | |
60 | 1 | 12 | VAL | HG11 | H | 1.061 | 0.020 | |
61 | 1 | 12 | VAL | HG12 | H | 1.061 | 0.020 | |
62 | 1 | 12 | VAL | HG13 | H | 1.061 | 0.020 | |
63 | 1 | 12 | VAL | HG21 | H | 0.928 | 0.020 | |
64 | 1 | 12 | VAL | HG22 | H | 0.928 | 0.020 | |
65 | 1 | 12 | VAL | HG23 | H | 0.928 | 0.020 | |
66 | 1 | 13 | CYS | H | H | 8.818 | 0.020 | |
67 | 1 | 13 | CYS | HA | H | 4.508 | 0.020 | |
68 | 1 | 13 | CYS | HB2 | H | 2.935 | 0.020 | |
69 | 1 | 13 | CYS | HB3 | H | 3.195 | 0.020 | |
70 | 1 | 15 | ASN | H | H | 8.979 | 0.020 | |
71 | 1 | 15 | ASN | HA | H | 4.275 | 0.020 | |
72 | 1 | 15 | ASN | HB2 | H | 2.826 | 0.020 | |
73 | 1 | 15 | ASN | HB3 | H | 2.311 | 0.020 | |
74 | 1 | 16 | ASN | H | H | 8.666 | 0.020 | |
75 | 1 | 16 | ASN | HA | H | 4.533 | 0.020 | |
76 | 1 | 16 | ASN | HB2 | H | 3.162 | 0.020 | |
77 | 1 | 16 | ASN | HB3 | H | 2.541 | 0.020 | |
78 | 1 | 16 | ASN | HD21 | H | 7.548 | 0.020 | |
79 | 1 | 16 | ASN | HD22 | H | 6.788 | 0.020 | |
80 | 1 | 17 | TYR | H | H | 7.883 | 0.020 | |
81 | 1 | 17 | TYR | HA | H | 4.326 | 0.020 | |
82 | 1 | 17 | TYR | HB2 | H | 3.246 | 0.020 | |
83 | 1 | 17 | TYR | HB3 | H | 2.839 | 0.020 | |
84 | 1 | 17 | TYR | HD1 | H | 6.860 | 0.020 | 3 |
85 | 1 | 17 | TYR | HD2 | H | 6.860 | 0.020 | 3 |
86 | 1 | 17 | TYR | HE1 | H | 6.773 | 0.020 | 3 |
87 | 1 | 17 | TYR | HE2 | H | 6.773 | 0.020 | 3 |
88 | 1 | 18 | CYS | H | H | 8.301 | 0.020 | |
89 | 1 | 18 | CYS | HA | H | 4.570 | 0.020 | |
90 | 1 | 18 | CYS | HB2 | H | 2.987 | 0.020 | |
91 | 1 | 18 | CYS | HB3 | H | 3.630 | 0.020 | |
92 | 1 | 19 | CYS | H | H | 8.092 | 0.020 | |
93 | 1 | 19 | CYS | HA | H | 5.196 | 0.020 | |
94 | 1 | 19 | CYS | HB2 | H | 2.983 | 0.020 | 2 |
95 | 1 | 19 | CYS | HB3 | H | 2.983 | 0.020 | 2 |
96 | 1 | 21 | LYS | H | H | 8.935 | 0.020 | |
97 | 1 | 21 | LYS | HA | H | 3.891 | 0.020 | |
98 | 1 | 21 | LYS | HB2 | H | 1.623 | 0.020 | |
99 | 1 | 21 | LYS | HB3 | H | 1.266 | 0.020 | |
100 | 1 | 21 | LYS | HG2 | H | 0.745 | 0.020 | |
101 | 1 | 21 | LYS | HG3 | H | 0.382 | 0.020 | |
102 | 1 | 21 | LYS | HD2 | H | 1.152 | 0.020 | |
103 | 1 | 21 | LYS | HE2 | H | 2.539 | 0.020 | 2 |
104 | 1 | 21 | LYS | HE3 | H | 2.539 | 0.020 | 2 |
105 | 1 | 22 | TRP | H | H | 7.154 | 0.020 | |
106 | 1 | 22 | TRP | HA | H | 4.840 | 0.020 | |
107 | 1 | 22 | TRP | HB2 | H | 3.046 | 0.020 | |
108 | 1 | 22 | TRP | HB3 | H | 3.530 | 0.020 | |
109 | 1 | 22 | TRP | HD1 | H | 7.227 | 0.020 | |
110 | 1 | 22 | TRP | HE1 | H | 10.211 | 0.020 | |
111 | 1 | 22 | TRP | HE3 | H | 7.658 | 0.020 | |
112 | 1 | 22 | TRP | HZ2 | H | 7.363 | 0.020 | |
113 | 1 | 22 | TRP | HZ3 | H | 7.144 | 0.020 | |
114 | 1 | 23 | GLY | H | H | 8.186 | 0.020 | |
115 | 1 | 23 | GLY | HA2 | H | 3.740 | 0.020 | |
116 | 1 | 23 | GLY | HA3 | H | 4.231 | 0.020 | |
117 | 1 | 24 | SER | H | H | 7.472 | 0.020 | |
118 | 1 | 24 | SER | HA | H | 5.205 | 0.020 | |
119 | 1 | 24 | SER | HB2 | H | 3.964 | 0.020 | |
120 | 1 | 24 | SER | HB3 | H | 3.923 | 0.020 | |
121 | 1 | 25 | CYS | H | H | 8.881 | 0.020 | |
122 | 1 | 25 | CYS | HA | H | 5.670 | 0.020 | |
123 | 1 | 25 | CYS | HB2 | H | 2.922 | 0.020 | |
124 | 1 | 25 | CYS | HB3 | H | 3.029 | 0.020 | |
125 | 1 | 26 | GLY | H | H | 9.098 | 0.020 | |
126 | 1 | 26 | GLY | HA2 | H | 3.447 | 0.020 | |
127 | 1 | 26 | GLY | HA3 | H | 1.851 | 0.020 | |
128 | 1 | 27 | ILE | H | H | 7.557 | 0.020 | |
129 | 1 | 27 | ILE | HA | H | 4.759 | 0.020 | |
130 | 1 | 27 | ILE | HB | H | 1.549 | 0.020 | |
131 | 1 | 27 | ILE | HG12 | H | 1.067 | 0.020 | 2 |
132 | 1 | 27 | ILE | HG13 | H | 1.067 | 0.020 | 2 |
133 | 1 | 27 | ILE | HG21 | H | 0.700 | 0.020 | |
134 | 1 | 27 | ILE | HG22 | H | 0.700 | 0.020 | |
135 | 1 | 27 | ILE | HG23 | H | 0.700 | 0.020 | |
136 | 1 | 27 | ILE | HD11 | H | 0.425 | 0.020 | |
137 | 1 | 27 | ILE | HD12 | H | 0.425 | 0.020 | |
138 | 1 | 27 | ILE | HD13 | H | 0.425 | 0.020 | |
139 | 1 | 28 | GLY | H | H | 7.715 | 0.020 | |
140 | 1 | 28 | GLY | HA2 | H | 4.613 | 0.020 | |
141 | 1 | 28 | GLY | HA3 | H | 3.941 | 0.020 | |
142 | 1 | 29 | PRO | HA | H | 4.379 | 0.020 | |
143 | 1 | 29 | PRO | HB2 | H | 2.417 | 0.020 | |
144 | 1 | 29 | PRO | HB3 | H | 2.120 | 0.020 | |
145 | 1 | 29 | PRO | HG2 | H | 2.012 | 0.020 | 2 |
146 | 1 | 29 | PRO | HG3 | H | 2.012 | 0.020 | 2 |
147 | 1 | 29 | PRO | HD2 | H | 3.697 | 0.020 | |
148 | 1 | 29 | PRO | HD3 | H | 3.808 | 0.020 | |
149 | 1 | 31 | TYR | H | H | 7.661 | 0.020 | |
150 | 1 | 31 | TYR | HA | H | 4.123 | 0.020 | |
151 | 1 | 31 | TYR | HB2 | H | 2.748 | 0.020 | |
152 | 1 | 31 | TYR | HB3 | H | 2.471 | 0.020 | |
153 | 1 | 31 | TYR | HD1 | H | 7.010 | 0.020 | 3 |
154 | 1 | 31 | TYR | HD2 | H | 7.010 | 0.020 | 3 |
155 | 1 | 31 | TYR | HE1 | H | 6.727 | 0.020 | 3 |
156 | 1 | 31 | TYR | HE2 | H | 6.727 | 0.020 | 3 |
157 | 1 | 32 | CYS | H | H | 8.267 | 0.020 | |
158 | 1 | 32 | CYS | HA | H | 4.995 | 0.020 | |
159 | 1 | 32 | CYS | HB2 | H | 2.773 | 0.020 | |
160 | 1 | 32 | CYS | HB3 | H | 3.401 | 0.020 | |
161 | 1 | 33 | GLY | H | H | 7.716 | 0.020 | |
162 | 1 | 33 | GLY | HA2 | H | 4.365 | 0.020 | |
163 | 1 | 33 | GLY | HA3 | H | 3.814 | 0.020 | |
164 | 1 | 34 | ALA | H | H | 8.388 | 0.020 | |
165 | 1 | 34 | ALA | HA | H | 4.066 | 0.020 | |
166 | 1 | 34 | ALA | HB1 | H | 1.331 | 0.020 | |
167 | 1 | 34 | ALA | HB2 | H | 1.331 | 0.020 | |
168 | 1 | 34 | ALA | HB3 | H | 1.331 | 0.020 | |
169 | 1 | 35 | GLY | H | H | 8.931 | 0.020 | |
170 | 1 | 35 | GLY | HA2 | H | 3.973 | 0.020 | |
171 | 1 | 35 | GLY | HA3 | H | 3.564 | 0.020 | |
172 | 1 | 36 | CYS | H | H | 7.968 | 0.020 | |
173 | 1 | 36 | CYS | HA | H | 4.466 | 0.020 | |
174 | 1 | 36 | CYS | HB2 | H | 2.800 | 0.020 | 2 |
175 | 1 | 36 | CYS | HB3 | H | 2.800 | 0.020 | 2 |
176 | 1 | 37 | GLN | H | H | 9.906 | 0.020 | |
177 | 1 | 37 | GLN | HA | H | 4.373 | 0.020 | |
178 | 1 | 37 | GLN | HB2 | H | 1.613 | 0.020 | |
179 | 1 | 37 | GLN | HB3 | H | 2.159 | 0.020 | |
180 | 1 | 37 | GLN | HG2 | H | 2.279 | 0.020 | |
181 | 1 | 37 | GLN | HG3 | H | 2.368 | 0.020 | |
182 | 1 | 37 | GLN | HE21 | H | 7.778 | 0.020 | |
183 | 1 | 37 | GLN | HE22 | H | 7.755 | 0.020 | |
184 | 1 | 38 | SER | H | H | 7.544 | 0.020 | |
185 | 1 | 38 | SER | HA | H | 4.530 | 0.020 | |
186 | 1 | 38 | SER | HB2 | H | 4.351 | 0.020 | |
187 | 1 | 38 | SER | HB3 | H | 3.882 | 0.020 | |
188 | 1 | 39 | GLY | H | H | 8.863 | 0.020 | |
189 | 1 | 39 | GLY | HA2 | H | 3.636 | 0.020 | |
190 | 1 | 39 | GLY | HA3 | H | 4.288 | 0.020 | |
191 | 1 | 40 | GLY | H | H | 7.460 | 0.020 | |
192 | 1 | 40 | GLY | HA2 | H | 4.454 | 0.020 | |
193 | 1 | 40 | GLY | HA3 | H | 3.417 | 0.020 | |
194 | 1 | 41 | CYS | H | H | 8.336 | 0.020 | |
195 | 1 | 41 | CYS | HA | H | 4.693 | 0.020 | |
196 | 1 | 41 | CYS | HB2 | H | 3.494 | 0.020 | |
197 | 1 | 41 | CYS | HB3 | H | 2.600 | 0.020 | |
198 | 1 | 42 | ASP | H | H | 9.114 | 0.020 | |
199 | 1 | 42 | ASP | HA | H | 4.451 | 0.020 | |
200 | 1 | 42 | ASP | HB2 | H | 2.697 | 0.020 | |
201 | 1 | 42 | ASP | HB3 | H | 2.557 | 0.020 | |
202 | 1 | 43 | GLY | H | H | 8.177 | 0.020 | |
203 | 1 | 43 | GLY | HA2 | H | 3.767 | 0.020 | |
204 | 1 | 43 | GLY | HA3 | H | 3.690 | 0.020 |