JzTx-34 toxin peptide
ID | Type | Value order | Atom ID 1 | Atom ID 2 |
---|---|---|---|---|
1 | disulfide | sing | 1:CYS2:SG | 1:CYS16:SG |
2 | disulfide | sing | 1:CYS9:SG | 1:CYS21:SG |
3 | disulfide | sing | 1:CYS15:SG | 1:CYS29:SG |
ID | Entity ID | Seq ID | Comp ID | Atom ID | Atom type | Val | Val err | Ambig. code |
---|---|---|---|---|---|---|---|---|
1 | 1 | 1 | ALA | HA | H | 4.168 | 0.000 | 1 |
2 | 1 | 1 | ALA | HB1 | H | 1.575 | 0.000 | 1 |
3 | 1 | 1 | ALA | HB2 | H | 1.575 | 0.000 | 1 |
4 | 1 | 1 | ALA | HB3 | H | 1.575 | 0.000 | 1 |
5 | 1 | 2 | CYS | H | H | 8.604 | 0.000 | 1 |
6 | 1 | 2 | CYS | HA | H | 4.679 | 0.000 | 1 |
7 | 1 | 2 | CYS | HB2 | H | 2.821 | 0.000 | 1 |
8 | 1 | 2 | CYS | HB3 | H | 3.143 | 0.000 | 1 |
9 | 1 | 3 | ARG | H | H | 9.234 | 0.000 | 1 |
10 | 1 | 3 | ARG | HA | H | 4.442 | 0.000 | 1 |
11 | 1 | 3 | ARG | HB2 | H | 1.656 | 0.000 | 1 |
12 | 1 | 3 | ARG | HB3 | H | 1.953 | 0.000 | 1 |
13 | 1 | 3 | ARG | HG2 | H | 1.777 | 0.000 | 1 |
14 | 1 | 3 | ARG | HG3 | H | 2.041 | 0.000 | 1 |
15 | 1 | 3 | ARG | HD2 | H | 3.256 | 0.000 | 1 |
16 | 1 | 3 | ARG | HD3 | H | 3.256 | 0.000 | 1 |
17 | 1 | 3 | ARG | HE | H | 7.239 | 0.000 | 1 |
18 | 1 | 4 | GLU | H | H | 8.316 | 0.000 | 1 |
19 | 1 | 4 | GLU | HA | H | 4.076 | 0.000 | 1 |
20 | 1 | 4 | GLU | HB2 | H | 2.332 | 0.000 | 1 |
21 | 1 | 4 | GLU | HB3 | H | 1.894 | 0.000 | 1 |
22 | 1 | 4 | GLU | HG2 | H | 2.464 | 0.000 | 1 |
23 | 1 | 4 | GLU | HG3 | H | 2.338 | 0.000 | 1 |
24 | 1 | 5 | TRP | H | H | 8.091 | 0.000 | 1 |
25 | 1 | 5 | TRP | HA | H | 3.520 | 0.000 | 1 |
26 | 1 | 5 | TRP | HB2 | H | 2.547 | 0.000 | 1 |
27 | 1 | 5 | TRP | HB3 | H | 3.043 | 0.000 | 1 |
28 | 1 | 5 | TRP | HD1 | H | 6.385 | 0.000 | 1 |
29 | 1 | 5 | TRP | HE1 | H | 10.381 | 0.000 | 1 |
30 | 1 | 5 | TRP | HE3 | H | 7.515 | 0.000 | 1 |
31 | 1 | 5 | TRP | HZ2 | H | 7.590 | 0.000 | 1 |
32 | 1 | 5 | TRP | HZ3 | H | 7.187 | 0.000 | 1 |
33 | 1 | 5 | TRP | HH2 | H | 7.305 | 0.000 | 1 |
34 | 1 | 6 | LEU | H | H | 8.418 | 0.000 | 1 |
35 | 1 | 6 | LEU | HA | H | 2.992 | 0.000 | 1 |
36 | 1 | 6 | LEU | HB2 | H | 1.475 | 0.000 | 1 |
37 | 1 | 6 | LEU | HB3 | H | 0.904 | 0.000 | 1 |
38 | 1 | 6 | LEU | HG | H | -0.118 | 0.000 | 1 |
39 | 1 | 6 | LEU | HD11 | H | -0.541 | 0.000 | 1 |
40 | 1 | 6 | LEU | HD12 | H | -0.541 | 0.000 | 1 |
41 | 1 | 6 | LEU | HD13 | H | -0.541 | 0.000 | 1 |
42 | 1 | 6 | LEU | HD21 | H | -0.118 | 0.000 | 1 |
43 | 1 | 6 | LEU | HD22 | H | -0.118 | 0.000 | 1 |
44 | 1 | 6 | LEU | HD23 | H | -0.118 | 0.000 | 1 |
45 | 1 | 7 | GLY | H | H | 8.995 | 0.000 | 1 |
46 | 1 | 7 | GLY | HA2 | H | 4.003 | 0.000 | 1 |
47 | 1 | 7 | GLY | HA3 | H | 3.410 | 0.000 | 1 |
48 | 1 | 8 | GLY | H | H | 8.576 | 0.000 | 1 |
49 | 1 | 8 | GLY | HA2 | H | 3.731 | 0.000 | 1 |
50 | 1 | 8 | GLY | HA3 | H | 4.217 | 0.000 | 1 |
51 | 1 | 9 | CYS | H | H | 7.484 | 0.000 | 1 |
52 | 1 | 9 | CYS | HA | H | 4.935 | 0.000 | 1 |
53 | 1 | 9 | CYS | HB2 | H | 3.213 | 0.000 | 1 |
54 | 1 | 9 | CYS | HB3 | H | 3.212 | 0.000 | 1 |
55 | 1 | 10 | SER | H | H | 9.621 | 0.000 | 1 |
56 | 1 | 10 | SER | HA | H | 4.631 | 0.000 | 1 |
57 | 1 | 10 | SER | HB2 | H | 3.848 | 0.000 | 1 |
58 | 1 | 10 | SER | HB3 | H | 3.866 | 0.000 | 1 |
59 | 1 | 11 | LYS | H | H | 7.988 | 0.000 | 1 |
60 | 1 | 11 | LYS | HA | H | 4.646 | 0.000 | 1 |
61 | 1 | 11 | LYS | HB2 | H | 1.865 | 0.000 | 1 |
62 | 1 | 11 | LYS | HB3 | H | 1.983 | 0.000 | 1 |
63 | 1 | 11 | LYS | HG2 | H | 1.456 | 0.000 | 1 |
64 | 1 | 11 | LYS | HG3 | H | 1.038 | 0.000 | 1 |
65 | 1 | 11 | LYS | HD2 | H | 1.681 | 0.000 | 1 |
66 | 1 | 11 | LYS | HD3 | H | 1.595 | 0.000 | 1 |
67 | 1 | 11 | LYS | HE2 | H | 2.982 | 0.000 | 1 |
68 | 1 | 11 | LYS | HE3 | H | 2.863 | 0.000 | 1 |
69 | 1 | 12 | ASP | H | H | 9.001 | 0.000 | 1 |
70 | 1 | 12 | ASP | HA | H | 4.115 | 0.000 | 1 |
71 | 1 | 12 | ASP | HB2 | H | 2.624 | 0.000 | 1 |
72 | 1 | 12 | ASP | HB3 | H | 2.907 | 0.000 | 1 |
73 | 1 | 13 | ALA | H | H | 8.306 | 0.000 | 1 |
74 | 1 | 13 | ALA | HA | H | 4.224 | 0.000 | 1 |
75 | 1 | 13 | ALA | HB1 | H | 1.376 | 0.000 | 1 |
76 | 1 | 13 | ALA | HB2 | H | 1.376 | 0.000 | 1 |
77 | 1 | 13 | ALA | HB3 | H | 1.376 | 0.000 | 1 |
78 | 1 | 14 | ASP | H | H | 8.020 | 0.000 | 1 |
79 | 1 | 14 | ASP | HA | H | 5.056 | 0.000 | 1 |
80 | 1 | 14 | ASP | HB2 | H | 3.172 | 0.000 | 1 |
81 | 1 | 14 | ASP | HB3 | H | 2.800 | 0.000 | 1 |
82 | 1 | 15 | CYS | H | H | 7.682 | 0.000 | 1 |
83 | 1 | 15 | CYS | HA | H | 4.448 | 0.000 | 1 |
84 | 1 | 15 | CYS | HB2 | H | 3.006 | 0.000 | 1 |
85 | 1 | 15 | CYS | HB3 | H | 2.827 | 0.000 | 1 |
86 | 1 | 16 | CYS | H | H | 8.999 | 0.000 | 1 |
87 | 1 | 16 | CYS | HA | H | 4.639 | 0.000 | 1 |
88 | 1 | 16 | CYS | HB2 | H | 2.547 | 0.000 | 1 |
89 | 1 | 16 | CYS | HB3 | H | 3.524 | 0.000 | 1 |
90 | 1 | 17 | ALA | H | H | 7.825 | 0.000 | 1 |
91 | 1 | 17 | ALA | HA | H | 4.025 | 0.000 | 1 |
92 | 1 | 17 | ALA | HB1 | H | 1.175 | 0.000 | 1 |
93 | 1 | 17 | ALA | HB2 | H | 1.175 | 0.000 | 1 |
94 | 1 | 17 | ALA | HB3 | H | 1.175 | 0.000 | 1 |
95 | 1 | 18 | HIS | H | H | 8.577 | 0.000 | 1 |
96 | 1 | 18 | HIS | HA | H | 4.275 | 0.000 | 1 |
97 | 1 | 18 | HIS | HB2 | H | 3.972 | 0.000 | 1 |
98 | 1 | 18 | HIS | HB3 | H | 3.657 | 0.000 | 1 |
99 | 1 | 18 | HIS | HD2 | H | 7.258 | 0.000 | 1 |
100 | 1 | 18 | HIS | HE1 | H | 8.632 | 0.000 | 1 |
101 | 1 | 19 | LEU | H | H | 7.709 | 0.000 | 1 |
102 | 1 | 19 | LEU | HA | H | 5.164 | 0.000 | 1 |
103 | 1 | 19 | LEU | HB2 | H | 0.995 | 0.000 | 1 |
104 | 1 | 19 | LEU | HB3 | H | 2.207 | 0.000 | 1 |
105 | 1 | 19 | LEU | HG | H | 1.282 | 0.000 | 1 |
106 | 1 | 19 | LEU | HD11 | H | -0.318 | 0.000 | 1 |
107 | 1 | 19 | LEU | HD12 | H | -0.318 | 0.000 | 1 |
108 | 1 | 19 | LEU | HD13 | H | -0.318 | 0.000 | 1 |
109 | 1 | 19 | LEU | HD21 | H | 0.592 | 0.000 | 1 |
110 | 1 | 19 | LEU | HD22 | H | 0.592 | 0.000 | 1 |
111 | 1 | 19 | LEU | HD23 | H | 0.592 | 0.000 | 1 |
112 | 1 | 20 | GLU | H | H | 9.279 | 0.000 | 1 |
113 | 1 | 20 | GLU | HA | H | 4.481 | 0.000 | 1 |
114 | 1 | 20 | GLU | HB2 | H | 1.879 | 0.000 | 1 |
115 | 1 | 20 | GLU | HB3 | H | 1.978 | 0.000 | 1 |
116 | 1 | 20 | GLU | HG2 | H | 2.010 | 0.000 | 1 |
117 | 1 | 20 | GLU | HG3 | H | 2.157 | 0.000 | 1 |
118 | 1 | 21 | CYS | H | H | 9.544 | 0.000 | 1 |
119 | 1 | 21 | CYS | HA | H | 4.648 | 0.000 | 1 |
120 | 1 | 21 | CYS | HB2 | H | 2.664 | 0.000 | 1 |
121 | 1 | 21 | CYS | HB3 | H | 2.553 | 0.000 | 1 |
122 | 1 | 22 | ARG | H | H | 8.017 | 0.000 | 1 |
123 | 1 | 22 | ARG | HA | H | 4.074 | 0.000 | 1 |
124 | 1 | 22 | ARG | HB2 | H | 1.791 | 0.000 | 1 |
125 | 1 | 22 | ARG | HB3 | H | 1.929 | 0.000 | 1 |
126 | 1 | 22 | ARG | HG2 | H | 1.697 | 0.000 | 1 |
127 | 1 | 22 | ARG | HG3 | H | 1.697 | 0.000 | 1 |
128 | 1 | 22 | ARG | HD2 | H | 2.897 | 0.000 | 1 |
129 | 1 | 22 | ARG | HD3 | H | 3.154 | 0.000 | 1 |
130 | 1 | 22 | ARG | HE | H | 7.031 | 0.000 | 1 |
131 | 1 | 23 | LYS | H | H | 8.434 | 0.000 | 1 |
132 | 1 | 23 | LYS | HA | H | 3.889 | 0.000 | 1 |
133 | 1 | 23 | LYS | HB2 | H | 1.599 | 0.000 | 1 |
134 | 1 | 23 | LYS | HB3 | H | 1.762 | 0.000 | 1 |
135 | 1 | 23 | LYS | HG2 | H | 1.160 | 0.000 | 1 |
136 | 1 | 23 | LYS | HG3 | H | 1.160 | 0.000 | 1 |
137 | 1 | 23 | LYS | HD2 | H | 1.417 | 0.000 | 1 |
138 | 1 | 23 | LYS | HD3 | H | 1.417 | 0.000 | 1 |
139 | 1 | 23 | LYS | HE2 | H | 2.896 | 0.000 | 1 |
140 | 1 | 23 | LYS | HE3 | H | 2.896 | 0.000 | 1 |
141 | 1 | 24 | LYS | H | H | 7.292 | 0.000 | 1 |
142 | 1 | 24 | LYS | HA | H | 4.569 | 0.000 | 1 |
143 | 1 | 24 | LYS | HB2 | H | 1.558 | 0.000 | 1 |
144 | 1 | 24 | LYS | HB3 | H | 1.689 | 0.000 | 1 |
145 | 1 | 24 | LYS | HG2 | H | 1.376 | 0.000 | 1 |
146 | 1 | 24 | LYS | HG3 | H | 1.376 | 0.000 | 1 |
147 | 1 | 24 | LYS | HD3 | H | 1.693 | 0.000 | 1 |
148 | 1 | 24 | LYS | HE2 | H | 3.009 | 0.000 | 1 |
149 | 1 | 24 | LYS | HE3 | H | 3.009 | 0.000 | 1 |
150 | 1 | 25 | TRP | H | H | 8.725 | 0.000 | 1 |
151 | 1 | 25 | TRP | HA | H | 3.579 | 0.000 | 1 |
152 | 1 | 25 | TRP | HB2 | H | 3.079 | 0.000 | 1 |
153 | 1 | 25 | TRP | HB3 | H | 3.079 | 0.000 | 1 |
154 | 1 | 25 | TRP | HD1 | H | 7.099 | 0.000 | 1 |
155 | 1 | 25 | TRP | HE1 | H | 10.171 | 0.000 | 1 |
156 | 1 | 25 | TRP | HE3 | H | 7.136 | 0.000 | 1 |
157 | 1 | 25 | TRP | HZ2 | H | 7.464 | 0.000 | 1 |
158 | 1 | 25 | TRP | HZ3 | H | 7.042 | 0.000 | 1 |
159 | 1 | 25 | TRP | HH2 | H | 7.196 | 0.000 | 1 |
160 | 1 | 26 | PRO | HA | H | 2.826 | 0.000 | 1 |
161 | 1 | 26 | PRO | HB2 | H | 0.833 | 0.000 | 1 |
162 | 1 | 26 | PRO | HB3 | H | 1.253 | 0.000 | 1 |
163 | 1 | 26 | PRO | HG2 | H | 1.132 | 0.000 | 1 |
164 | 1 | 26 | PRO | HG3 | H | 1.398 | 0.000 | 1 |
165 | 1 | 26 | PRO | HD2 | H | 3.248 | 0.000 | 1 |
166 | 1 | 26 | PRO | HD3 | H | 3.011 | 0.000 | 1 |
167 | 1 | 27 | TYR | H | H | 7.684 | 0.000 | 1 |
168 | 1 | 27 | TYR | HA | H | 4.433 | 0.000 | 1 |
169 | 1 | 27 | TYR | HB2 | H | 3.168 | 0.000 | 1 |
170 | 1 | 27 | TYR | HB3 | H | 3.169 | 0.000 | 1 |
171 | 1 | 27 | TYR | HD1 | H | 7.129 | 0.000 | 1 |
172 | 1 | 27 | TYR | HD2 | H | 7.129 | 0.000 | 1 |
173 | 1 | 27 | TYR | HE1 | H | 6.854 | 0.000 | 1 |
174 | 1 | 27 | TYR | HE2 | H | 6.854 | 0.000 | 1 |
175 | 1 | 28 | HIS | H | H | 7.126 | 0.000 | 1 |
176 | 1 | 28 | HIS | HA | H | 5.467 | 0.000 | 1 |
177 | 1 | 28 | HIS | HB2 | H | 2.539 | 0.000 | 1 |
178 | 1 | 28 | HIS | HB3 | H | 2.877 | 0.000 | 1 |
179 | 1 | 28 | HIS | HD2 | H | 6.607 | 0.000 | 1 |
180 | 1 | 28 | HIS | HE1 | H | 8.345 | 0.000 | 1 |
181 | 1 | 29 | CYS | H | H | 8.996 | 0.000 | 1 |
182 | 1 | 29 | CYS | HA | H | 5.056 | 0.000 | 1 |
183 | 1 | 29 | CYS | HB2 | H | 2.680 | 0.000 | 1 |
184 | 1 | 29 | CYS | HB3 | H | 2.899 | 0.000 | 1 |
185 | 1 | 30 | VAL | H | H | 9.650 | 0.000 | 1 |
186 | 1 | 30 | VAL | HA | H | 4.729 | 0.000 | 1 |
187 | 1 | 30 | VAL | HB | H | 2.420 | 0.000 | 1 |
188 | 1 | 30 | VAL | HG11 | H | 0.814 | 0.000 | 1 |
189 | 1 | 30 | VAL | HG12 | H | 0.814 | 0.000 | 1 |
190 | 1 | 30 | VAL | HG13 | H | 0.814 | 0.000 | 1 |
191 | 1 | 30 | VAL | HG21 | H | 0.935 | 0.000 | 1 |
192 | 1 | 30 | VAL | HG22 | H | 0.935 | 0.000 | 1 |
193 | 1 | 30 | VAL | HG23 | H | 0.935 | 0.000 | 1 |
194 | 1 | 31 | TRP | H | H | 7.336 | 0.000 | 1 |
195 | 1 | 31 | TRP | HA | H | 4.797 | 0.000 | 1 |
196 | 1 | 31 | TRP | HB2 | H | 2.343 | 0.000 | 1 |
197 | 1 | 31 | TRP | HB3 | H | 2.194 | 0.000 | 1 |
198 | 1 | 31 | TRP | HD1 | H | 6.769 | 0.000 | 1 |
199 | 1 | 31 | TRP | HE1 | H | 8.291 | 0.000 | 1 |
200 | 1 | 31 | TRP | HE3 | H | 7.618 | 0.000 | 1 |
201 | 1 | 31 | TRP | HZ2 | H | 7.042 | 0.000 | 1 |
202 | 1 | 31 | TRP | HZ3 | H | 7.114 | 0.000 | 1 |
203 | 1 | 31 | TRP | HH2 | H | 7.182 | 0.000 | 1 |
204 | 1 | 32 | ASP | H | H | 8.906 | 0.000 | 1 |
205 | 1 | 32 | ASP | HA | H | 4.362 | 0.000 | 1 |
206 | 1 | 32 | ASP | HB2 | H | 2.879 | 0.000 | 1 |
207 | 1 | 32 | ASP | HB3 | H | 2.433 | 0.000 | 1 |
208 | 1 | 33 | TRP | H | H | 7.433 | 0.000 | 1 |
209 | 1 | 33 | TRP | HA | H | 4.816 | 0.000 | 1 |
210 | 1 | 33 | TRP | HB2 | H | 3.469 | 0.000 | 1 |
211 | 1 | 33 | TRP | HB3 | H | 3.318 | 0.000 | 1 |
212 | 1 | 33 | TRP | HD1 | H | 7.229 | 0.000 | 1 |
213 | 1 | 33 | TRP | HE1 | H | 9.835 | 0.000 | 1 |
214 | 1 | 33 | TRP | HE3 | H | 7.659 | 0.000 | 1 |
215 | 1 | 33 | TRP | HZ2 | H | 6.760 | 0.000 | 1 |
216 | 1 | 33 | TRP | HZ3 | H | 6.992 | 0.000 | 1 |
217 | 1 | 33 | TRP | HH2 | H | 6.708 | 0.000 | 1 |
218 | 1 | 34 | THR | H | H | 7.914 | 0.000 | 1 |
219 | 1 | 34 | THR | HA | H | 4.331 | 0.000 | 1 |
220 | 1 | 34 | THR | HB | H | 4.218 | 0.000 | 1 |
221 | 1 | 34 | THR | HG21 | H | 0.991 | 0.000 | 1 |
222 | 1 | 34 | THR | HG22 | H | 0.991 | 0.000 | 1 |
223 | 1 | 34 | THR | HG23 | H | 0.991 | 0.000 | 1 |
224 | 1 | 35 | VAL | H | H | 7.568 | 0.000 | 1 |
225 | 1 | 35 | VAL | HA | H | 3.999 | 0.000 | 1 |
226 | 1 | 35 | VAL | HB | H | 2.059 | 0.000 | 1 |
227 | 1 | 35 | VAL | HG11 | H | 0.854 | 0.000 | 1 |
228 | 1 | 35 | VAL | HG12 | H | 0.854 | 0.000 | 1 |
229 | 1 | 35 | VAL | HG13 | H | 0.854 | 0.000 | 1 |
230 | 1 | 35 | VAL | HG21 | H | 0.850 | 0.000 | 1 |
231 | 1 | 35 | VAL | HG22 | H | 0.850 | 0.000 | 1 |
232 | 1 | 35 | VAL | HG23 | H | 0.850 | 0.000 | 1 |