JzTx-34 toxin peptide W31A mutant
ID | Entity ID | Seq ID | Comp ID | Atom ID | Atom type | Val | Val err | Ambig. code |
---|---|---|---|---|---|---|---|---|
1 | 1 | 1 | ALA | HA | H | 4.172 | 0.000 | 1 |
2 | 1 | 1 | ALA | HB1 | H | 1.576 | 0.000 | 1 |
3 | 1 | 1 | ALA | HB2 | H | 1.576 | 0.000 | 1 |
4 | 1 | 1 | ALA | HB3 | H | 1.576 | 0.000 | 1 |
5 | 1 | 2 | CYS | H | H | 8.607 | 0.000 | 1 |
6 | 1 | 2 | CYS | HA | H | 4.687 | 0.000 | 1 |
7 | 1 | 2 | CYS | HB2 | H | 3.148 | 0.000 | 1 |
8 | 1 | 2 | CYS | HB3 | H | 2.830 | 0.000 | 1 |
9 | 1 | 3 | ARG | H | H | 9.212 | 0.000 | 1 |
10 | 1 | 3 | ARG | HA | H | 4.456 | 0.000 | 1 |
11 | 1 | 3 | ARG | HB2 | H | 1.670 | 0.000 | 1 |
12 | 1 | 3 | ARG | HB3 | H | 1.975 | 0.000 | 1 |
13 | 1 | 3 | ARG | HG2 | H | 1.780 | 0.000 | 1 |
14 | 1 | 3 | ARG | HG3 | H | 2.057 | 0.000 | 1 |
15 | 1 | 3 | ARG | HD2 | H | 3.269 | 0.000 | 1 |
16 | 1 | 3 | ARG | HD3 | H | 3.269 | 0.000 | 1 |
17 | 1 | 3 | ARG | HE | H | 7.262 | 0.000 | 1 |
18 | 1 | 4 | GLU | H | H | 8.346 | 0.000 | 1 |
19 | 1 | 4 | GLU | HA | H | 4.076 | 0.000 | 1 |
20 | 1 | 4 | GLU | HB2 | H | 2.317 | 0.000 | 1 |
21 | 1 | 4 | GLU | HB3 | H | 1.898 | 0.000 | 1 |
22 | 1 | 4 | GLU | HG2 | H | 2.444 | 0.000 | 1 |
23 | 1 | 4 | GLU | HG3 | H | 2.319 | 0.000 | 1 |
24 | 1 | 5 | TRP | H | H | 8.142 | 0.000 | 1 |
25 | 1 | 5 | TRP | HA | H | 3.596 | 0.000 | 1 |
26 | 1 | 5 | TRP | HB2 | H | 3.074 | 0.000 | 1 |
27 | 1 | 5 | TRP | HB3 | H | 2.616 | 0.000 | 1 |
28 | 1 | 5 | TRP | HD1 | H | 6.510 | 0.000 | 1 |
29 | 1 | 5 | TRP | HE1 | H | 10.437 | 0.000 | 1 |
30 | 1 | 5 | TRP | HE3 | H | 7.549 | 0.000 | 1 |
31 | 1 | 5 | TRP | HZ2 | H | 7.585 | 0.000 | 1 |
32 | 1 | 5 | TRP | HZ3 | H | 7.190 | 0.000 | 1 |
33 | 1 | 5 | TRP | HH2 | H | 7.288 | 0.000 | 1 |
34 | 1 | 6 | LEU | H | H | 8.563 | 0.000 | 1 |
35 | 1 | 6 | LEU | HA | H | 3.029 | 0.000 | 1 |
36 | 1 | 6 | LEU | HB2 | H | 1.491 | 0.000 | 1 |
37 | 1 | 6 | LEU | HB3 | H | 0.908 | 0.000 | 1 |
38 | 1 | 6 | LEU | HG | H | -0.100 | 0.000 | 1 |
39 | 1 | 6 | LEU | HD11 | H | -0.492 | 0.000 | 1 |
40 | 1 | 6 | LEU | HD12 | H | -0.492 | 0.000 | 1 |
41 | 1 | 6 | LEU | HD13 | H | -0.492 | 0.000 | 1 |
42 | 1 | 6 | LEU | HD21 | H | -0.115 | 0.000 | 1 |
43 | 1 | 6 | LEU | HD22 | H | -0.115 | 0.000 | 1 |
44 | 1 | 6 | LEU | HD23 | H | -0.115 | 0.000 | 1 |
45 | 1 | 7 | GLY | H | H | 9.016 | 0.000 | 1 |
46 | 1 | 7 | GLY | HA2 | H | 4.030 | 0.000 | 1 |
47 | 1 | 7 | GLY | HA3 | H | 3.425 | 0.000 | 1 |
48 | 1 | 8 | GLY | H | H | 8.568 | 0.000 | 1 |
49 | 1 | 8 | GLY | HA2 | H | 3.752 | 0.000 | 1 |
50 | 1 | 8 | GLY | HA3 | H | 4.239 | 0.000 | 1 |
51 | 1 | 9 | CYS | H | H | 7.569 | 0.000 | 1 |
52 | 1 | 9 | CYS | HA | H | 4.948 | 0.000 | 1 |
53 | 1 | 9 | CYS | HB2 | H | 3.232 | 0.000 | 1 |
54 | 1 | 9 | CYS | HB3 | H | 3.232 | 0.000 | 1 |
55 | 1 | 10 | SER | H | H | 9.614 | 0.000 | 1 |
56 | 1 | 10 | SER | HA | H | 4.625 | 0.000 | 1 |
57 | 1 | 10 | SER | HB2 | H | 3.864 | 0.000 | 1 |
58 | 1 | 10 | SER | HB3 | H | 3.828 | 0.000 | 1 |
59 | 1 | 11 | LYS | H | H | 7.998 | 0.000 | 1 |
60 | 1 | 11 | LYS | HA | H | 4.659 | 0.000 | 1 |
61 | 1 | 11 | LYS | HB2 | H | 1.992 | 0.000 | 1 |
62 | 1 | 11 | LYS | HB3 | H | 1.869 | 0.000 | 1 |
63 | 1 | 11 | LYS | HG2 | H | 1.463 | 0.000 | 1 |
64 | 1 | 11 | LYS | HG3 | H | 1.048 | 0.000 | 1 |
65 | 1 | 11 | LYS | HD2 | H | 1.692 | 0.000 | 1 |
66 | 1 | 11 | LYS | HD3 | H | 1.605 | 0.000 | 1 |
67 | 1 | 11 | LYS | HE2 | H | 2.985 | 0.000 | 1 |
68 | 1 | 11 | LYS | HE3 | H | 2.864 | 0.000 | 1 |
69 | 1 | 12 | ASP | H | H | 9.007 | 0.000 | 1 |
70 | 1 | 12 | ASP | HA | H | 4.135 | 0.000 | 1 |
71 | 1 | 12 | ASP | HB2 | H | 2.633 | 0.000 | 1 |
72 | 1 | 12 | ASP | HB3 | H | 2.927 | 0.000 | 1 |
73 | 1 | 13 | ALA | H | H | 8.302 | 0.000 | 1 |
74 | 1 | 13 | ALA | HA | H | 4.234 | 0.000 | 1 |
75 | 1 | 13 | ALA | HB1 | H | 1.382 | 0.000 | 1 |
76 | 1 | 13 | ALA | HB2 | H | 1.382 | 0.000 | 1 |
77 | 1 | 13 | ALA | HB3 | H | 1.382 | 0.000 | 1 |
78 | 1 | 14 | ASP | H | H | 8.028 | 0.000 | 1 |
79 | 1 | 14 | ASP | HA | H | 5.075 | 0.000 | 1 |
80 | 1 | 14 | ASP | HB2 | H | 2.829 | 0.000 | 1 |
81 | 1 | 14 | ASP | HB3 | H | 3.198 | 0.000 | 1 |
82 | 1 | 15 | CYS | H | H | 7.695 | 0.000 | 1 |
83 | 1 | 15 | CYS | HA | H | 4.456 | 0.000 | 1 |
84 | 1 | 15 | CYS | HB2 | H | 2.838 | 0.000 | 1 |
85 | 1 | 15 | CYS | HB3 | H | 3.020 | 0.000 | 1 |
86 | 1 | 16 | CYS | H | H | 9.059 | 0.000 | 1 |
87 | 1 | 16 | CYS | HA | H | 4.629 | 0.000 | 1 |
88 | 1 | 16 | CYS | HB2 | H | 2.557 | 0.000 | 1 |
89 | 1 | 16 | CYS | HB3 | H | 3.517 | 0.000 | 1 |
90 | 1 | 17 | ALA | H | H | 7.849 | 0.000 | 1 |
91 | 1 | 17 | ALA | HA | H | 4.023 | 0.000 | 1 |
92 | 1 | 17 | ALA | HB1 | H | 1.166 | 0.000 | 1 |
93 | 1 | 17 | ALA | HB2 | H | 1.166 | 0.000 | 1 |
94 | 1 | 17 | ALA | HB3 | H | 1.166 | 0.000 | 1 |
95 | 1 | 18 | HIS | H | H | 8.564 | 0.000 | 1 |
96 | 1 | 18 | HIS | HA | H | 4.309 | 0.000 | 1 |
97 | 1 | 18 | HIS | HB2 | H | 3.945 | 0.000 | 1 |
98 | 1 | 18 | HIS | HB3 | H | 3.657 | 0.000 | 1 |
99 | 1 | 18 | HIS | HD2 | H | 7.229 | 0.000 | 1 |
100 | 1 | 18 | HIS | HE1 | H | 8.603 | 0.000 | 1 |
101 | 1 | 19 | LEU | H | H | 7.715 | 0.000 | 1 |
102 | 1 | 19 | LEU | HA | H | 5.217 | 0.000 | 1 |
103 | 1 | 19 | LEU | HB2 | H | 1.062 | 0.000 | 1 |
104 | 1 | 19 | LEU | HB3 | H | 2.221 | 0.000 | 1 |
105 | 1 | 19 | LEU | HG | H | 1.311 | 0.000 | 1 |
106 | 1 | 19 | LEU | HD11 | H | 0.627 | 0.000 | 1 |
107 | 1 | 19 | LEU | HD12 | H | 0.627 | 0.000 | 1 |
108 | 1 | 19 | LEU | HD13 | H | 0.627 | 0.000 | 1 |
109 | 1 | 19 | LEU | HD21 | H | -0.234 | 0.000 | 1 |
110 | 1 | 19 | LEU | HD22 | H | -0.234 | 0.000 | 1 |
111 | 1 | 19 | LEU | HD23 | H | -0.234 | 0.000 | 1 |
112 | 1 | 20 | GLU | H | H | 9.452 | 0.000 | 1 |
113 | 1 | 20 | GLU | HA | H | 4.526 | 0.000 | 1 |
114 | 1 | 20 | GLU | HB2 | H | 1.954 | 0.000 | 1 |
115 | 1 | 20 | GLU | HB3 | H | 1.954 | 0.000 | 1 |
116 | 1 | 20 | GLU | HG2 | H | 1.956 | 0.000 | 1 |
117 | 1 | 20 | GLU | HG3 | H | 2.103 | 0.000 | 1 |
118 | 1 | 21 | CYS | H | H | 9.535 | 0.000 | 1 |
119 | 1 | 21 | CYS | HA | H | 4.713 | 0.000 | 1 |
120 | 1 | 21 | CYS | HB2 | H | 2.674 | 0.000 | 1 |
121 | 1 | 21 | CYS | HB3 | H | 2.575 | 0.000 | 1 |
122 | 1 | 22 | ARG | H | H | 8.087 | 0.000 | 1 |
123 | 1 | 22 | ARG | HA | H | 4.096 | 0.000 | 1 |
124 | 1 | 22 | ARG | HB2 | H | 2.004 | 0.000 | 1 |
125 | 1 | 22 | ARG | HB3 | H | 1.865 | 0.000 | 1 |
126 | 1 | 22 | ARG | HG2 | H | 1.788 | 0.000 | 1 |
127 | 1 | 22 | ARG | HG3 | H | 1.745 | 0.000 | 1 |
128 | 1 | 22 | ARG | HD2 | H | 3.171 | 0.000 | 1 |
129 | 1 | 22 | ARG | HD3 | H | 2.868 | 0.000 | 1 |
130 | 1 | 22 | ARG | HE | H | 7.064 | 0.000 | 1 |
131 | 1 | 23 | LYS | H | H | 8.452 | 0.000 | 1 |
132 | 1 | 23 | LYS | HA | H | 3.996 | 0.000 | 1 |
133 | 1 | 23 | LYS | HB2 | H | 1.630 | 0.000 | 1 |
134 | 1 | 23 | LYS | HB3 | H | 1.854 | 0.000 | 1 |
135 | 1 | 23 | LYS | HG2 | H | 1.257 | 0.000 | 1 |
136 | 1 | 23 | LYS | HG3 | H | 1.257 | 0.000 | 1 |
137 | 1 | 23 | LYS | HD2 | H | 1.474 | 0.000 | 1 |
138 | 1 | 23 | LYS | HD3 | H | 1.474 | 0.000 | 1 |
139 | 1 | 23 | LYS | HE2 | H | 2.948 | 0.000 | 1 |
140 | 1 | 23 | LYS | HE3 | H | 2.948 | 0.000 | 1 |
141 | 1 | 24 | LYS | H | H | 7.285 | 0.000 | 1 |
142 | 1 | 24 | LYS | HA | H | 4.566 | 0.000 | 1 |
143 | 1 | 24 | LYS | HB2 | H | 1.708 | 0.000 | 1 |
144 | 1 | 24 | LYS | HB3 | H | 1.568 | 0.000 | 1 |
145 | 1 | 24 | LYS | HG2 | H | 1.382 | 0.000 | 1 |
146 | 1 | 24 | LYS | HG3 | H | 1.382 | 0.000 | 1 |
147 | 1 | 24 | LYS | HD2 | H | 1.705 | 0.000 | 1 |
148 | 1 | 24 | LYS | HD3 | H | 1.703 | 0.000 | 1 |
149 | 1 | 24 | LYS | HE2 | H | 3.011 | 0.000 | 1 |
150 | 1 | 24 | LYS | HE3 | H | 3.011 | 0.000 | 1 |
151 | 1 | 25 | TRP | H | H | 8.610 | 0.000 | 1 |
152 | 1 | 25 | TRP | HA | H | 3.463 | 0.000 | 1 |
153 | 1 | 25 | TRP | HB2 | H | 3.056 | 0.000 | 1 |
154 | 1 | 25 | TRP | HB3 | H | 3.059 | 0.000 | 1 |
155 | 1 | 25 | TRP | HD1 | H | 7.124 | 0.000 | 1 |
156 | 1 | 25 | TRP | HE1 | H | 10.180 | 0.000 | 1 |
157 | 1 | 25 | TRP | HE3 | H | 7.164 | 0.000 | 1 |
158 | 1 | 25 | TRP | HZ2 | H | 7.474 | 0.000 | 1 |
159 | 1 | 25 | TRP | HZ3 | H | 7.067 | 0.000 | 1 |
160 | 1 | 25 | TRP | HH2 | H | 7.207 | 0.000 | 1 |
161 | 1 | 26 | PRO | HA | H | 2.799 | 0.000 | 1 |
162 | 1 | 26 | PRO | HB2 | H | 1.234 | 0.000 | 1 |
163 | 1 | 26 | PRO | HB3 | H | 0.800 | 0.000 | 1 |
164 | 1 | 26 | PRO | HG2 | H | 1.382 | 0.000 | 1 |
165 | 1 | 26 | PRO | HG3 | H | 1.113 | 0.000 | 1 |
166 | 1 | 26 | PRO | HD2 | H | 2.980 | 0.000 | 1 |
167 | 1 | 26 | PRO | HD3 | H | 3.232 | 0.000 | 1 |
168 | 1 | 27 | TYR | H | H | 7.670 | 0.000 | 1 |
169 | 1 | 27 | TYR | HA | H | 4.401 | 0.000 | 1 |
170 | 1 | 27 | TYR | HB2 | H | 3.158 | 0.000 | 1 |
171 | 1 | 27 | TYR | HB3 | H | 3.207 | 0.000 | 1 |
172 | 1 | 27 | TYR | HD1 | H | 7.157 | 0.000 | 1 |
173 | 1 | 27 | TYR | HD2 | H | 7.157 | 0.000 | 1 |
174 | 1 | 27 | TYR | HE1 | H | 6.855 | 0.000 | 1 |
175 | 1 | 27 | TYR | HE2 | H | 6.855 | 0.000 | 1 |
176 | 1 | 28 | HIS | H | H | 7.047 | 0.000 | 1 |
177 | 1 | 28 | HIS | HA | H | 5.483 | 0.000 | 1 |
178 | 1 | 28 | HIS | HB2 | H | 2.544 | 0.000 | 1 |
179 | 1 | 28 | HIS | HB3 | H | 2.849 | 0.000 | 1 |
180 | 1 | 28 | HIS | HD2 | H | 6.595 | 0.000 | 1 |
181 | 1 | 28 | HIS | HE1 | H | 8.126 | 0.000 | 1 |
182 | 1 | 29 | CYS | H | H | 9.013 | 0.000 | 1 |
183 | 1 | 29 | CYS | HA | H | 5.102 | 0.000 | 1 |
184 | 1 | 29 | CYS | HB2 | H | 2.719 | 0.000 | 1 |
185 | 1 | 29 | CYS | HB3 | H | 2.957 | 0.000 | 1 |
186 | 1 | 30 | VAL | H | H | 9.773 | 0.000 | 1 |
187 | 1 | 30 | VAL | HA | H | 4.790 | 0.000 | 1 |
188 | 1 | 30 | VAL | HB | H | 2.562 | 0.000 | 1 |
189 | 1 | 30 | VAL | HG11 | H | 1.006 | 0.000 | 1 |
190 | 1 | 30 | VAL | HG12 | H | 1.006 | 0.000 | 1 |
191 | 1 | 30 | VAL | HG13 | H | 1.006 | 0.000 | 1 |
192 | 1 | 30 | VAL | HG21 | H | 0.907 | 0.000 | 1 |
193 | 1 | 30 | VAL | HG22 | H | 0.907 | 0.000 | 1 |
194 | 1 | 30 | VAL | HG23 | H | 0.907 | 0.000 | 1 |
195 | 1 | 31 | ALA | H | H | 8.272 | 0.000 | 1 |
196 | 1 | 31 | ALA | HA | H | 4.357 | 0.000 | 1 |
197 | 1 | 31 | ALA | HB1 | H | 1.451 | 0.000 | 1 |
198 | 1 | 31 | ALA | HB2 | H | 1.451 | 0.000 | 1 |
199 | 1 | 31 | ALA | HB3 | H | 1.451 | 0.000 | 1 |
200 | 1 | 32 | ASP | H | H | 8.695 | 0.000 | 1 |
201 | 1 | 32 | ASP | HA | H | 4.574 | 0.000 | 1 |
202 | 1 | 32 | ASP | HB2 | H | 2.952 | 0.000 | 1 |
203 | 1 | 32 | ASP | HB3 | H | 2.489 | 0.000 | 1 |
204 | 1 | 33 | TRP | H | H | 7.552 | 0.000 | 1 |
205 | 1 | 33 | TRP | HA | H | 5.014 | 0.000 | 1 |
206 | 1 | 33 | TRP | HB2 | H | 3.512 | 0.000 | 1 |
207 | 1 | 33 | TRP | HB3 | H | 3.074 | 0.000 | 1 |
208 | 1 | 33 | TRP | HD1 | H | 7.019 | 0.000 | 1 |
209 | 1 | 33 | TRP | HE1 | H | 8.394 | 0.000 | 1 |
210 | 1 | 33 | TRP | HE3 | H | 7.824 | 0.000 | 1 |
211 | 1 | 33 | TRP | HZ2 | H | 7.021 | 0.000 | 1 |
212 | 1 | 33 | TRP | HZ3 | H | 7.075 | 0.000 | 1 |
213 | 1 | 33 | TRP | HH2 | H | 7.130 | 0.000 | 1 |
214 | 1 | 34 | THR | H | H | 8.565 | 0.000 | 1 |
215 | 1 | 34 | THR | HA | H | 4.314 | 0.000 | 1 |
216 | 1 | 34 | THR | HB | H | 4.317 | 0.000 | 1 |
217 | 1 | 34 | THR | HG21 | H | 1.232 | 0.000 | 1 |
218 | 1 | 34 | THR | HG22 | H | 1.232 | 0.000 | 1 |
219 | 1 | 34 | THR | HG23 | H | 1.232 | 0.000 | 1 |
220 | 1 | 35 | VAL | H | H | 7.373 | 0.000 | 1 |
221 | 1 | 35 | VAL | HA | H | 3.895 | 0.000 | 1 |
222 | 1 | 35 | VAL | HB | H | 1.984 | 0.000 | 1 |
223 | 1 | 35 | VAL | HG11 | H | 0.823 | 0.000 | 1 |
224 | 1 | 35 | VAL | HG12 | H | 0.823 | 0.000 | 1 |
225 | 1 | 35 | VAL | HG13 | H | 0.823 | 0.000 | 1 |
226 | 1 | 35 | VAL | HG21 | H | 0.705 | 0.000 | 1 |
227 | 1 | 35 | VAL | HG22 | H | 0.705 | 0.000 | 1 |
228 | 1 | 35 | VAL | HG23 | H | 0.705 | 0.000 | 1 |