Structure of elevenin-Vc1 from venom of the Australian cone snail Conus victoriae
ID | Entity ID | Seq ID | Comp ID | Atom ID | Atom type | Val | Val err | Ambig. code |
---|---|---|---|---|---|---|---|---|
1 | 1 | 1 | ARG | HA | H | 4.033 | 0.002 | 1 |
2 | 1 | 1 | ARG | HB2 | H | 1.901 | 0.003 | 2 |
3 | 1 | 1 | ARG | HB3 | H | 1.724 | 0.000 | 2 |
4 | 1 | 1 | ARG | HG2 | H | 1.643 | 0.000 | 2 |
5 | 1 | 1 | ARG | HG3 | H | 1.610 | 0.000 | 2 |
6 | 1 | 1 | ARG | HD2 | H | 3.207 | 0.000 | 1 |
7 | 1 | 1 | ARG | HD3 | H | 3.207 | 0.000 | 1 |
8 | 1 | 1 | ARG | HE | H | 7.246 | 0.001 | 1 |
9 | 1 | 1 | ARG | NE | N | 84.188 | 0.000 | 1 |
10 | 1 | 2 | ARG | H | H | 8.868 | 0.002 | 1 |
11 | 1 | 2 | ARG | HA | H | 4.386 | 0.001 | 1 |
12 | 1 | 2 | ARG | HB2 | H | 1.789 | 0.002 | 1 |
13 | 1 | 2 | ARG | HB3 | H | 1.789 | 0.002 | 1 |
14 | 1 | 2 | ARG | HG2 | H | 1.639 | 0.002 | 1 |
15 | 1 | 2 | ARG | HG3 | H | 1.639 | 0.002 | 1 |
16 | 1 | 2 | ARG | HD2 | H | 3.199 | 0.000 | 1 |
17 | 1 | 2 | ARG | HD3 | H | 3.199 | 0.000 | 1 |
18 | 1 | 2 | ARG | HE | H | 7.277 | 0.001 | 1 |
19 | 1 | 2 | ARG | CA | C | 56.133 | 0.000 | 1 |
20 | 1 | 2 | ARG | N | N | 124.723 | 0.000 | 1 |
21 | 1 | 2 | ARG | NE | N | 84.511 | 0.000 | 1 |
22 | 1 | 3 | ILE | H | H | 8.411 | 0.001 | 1 |
23 | 1 | 3 | ILE | HA | H | 4.036 | 0.000 | 1 |
24 | 1 | 3 | ILE | HB | H | 1.723 | 0.003 | 1 |
25 | 1 | 3 | ILE | HG12 | H | 1.060 | 0.002 | 2 |
26 | 1 | 3 | ILE | HG13 | H | 1.363 | 0.002 | 2 |
27 | 1 | 3 | ILE | HG21 | H | 0.749 | 0.001 | 1 |
28 | 1 | 3 | ILE | HG22 | H | 0.749 | 0.001 | 1 |
29 | 1 | 3 | ILE | HG23 | H | 0.749 | 0.001 | 1 |
30 | 1 | 3 | ILE | HD11 | H | 0.667 | 0.001 | 1 |
31 | 1 | 3 | ILE | HD12 | H | 0.667 | 0.001 | 1 |
32 | 1 | 3 | ILE | HD13 | H | 0.667 | 0.001 | 1 |
33 | 1 | 3 | ILE | CG2 | C | 17.274 | 0.000 | 1 |
34 | 1 | 3 | ILE | CD1 | C | 12.765 | 0.000 | 1 |
35 | 1 | 3 | ILE | N | N | 124.426 | 0.000 | 1 |
36 | 1 | 4 | ASP | H | H | 8.540 | 0.001 | 1 |
37 | 1 | 4 | ASP | HA | H | 4.697 | 0.002 | 1 |
38 | 1 | 4 | ASP | HB2 | H | 2.622 | 0.001 | 1 |
39 | 1 | 4 | ASP | HB3 | H | 3.073 | 0.002 | 1 |
40 | 1 | 4 | ASP | CA | C | 52.979 | 0.000 | 1 |
41 | 1 | 4 | ASP | N | N | 124.516 | 0.000 | 1 |
42 | 1 | 5 | CYS | H | H | 8.895 | 0.002 | 1 |
43 | 1 | 5 | CYS | HA | H | 4.691 | 0.002 | 1 |
44 | 1 | 5 | CYS | HB2 | H | 2.841 | 0.000 | 1 |
45 | 1 | 5 | CYS | HB3 | H | 3.222 | 0.002 | 1 |
46 | 1 | 5 | CYS | CA | C | 55.332 | 0.000 | 1 |
47 | 1 | 5 | CYS | N | N | 125.302 | 0.000 | 1 |
48 | 1 | 6 | LYS | H | H | 8.580 | 0.001 | 1 |
49 | 1 | 6 | LYS | HA | H | 4.155 | 0.002 | 1 |
50 | 1 | 6 | LYS | HB2 | H | 1.950 | 0.000 | 2 |
51 | 1 | 6 | LYS | HB3 | H | 1.825 | 0.001 | 2 |
52 | 1 | 6 | LYS | HG2 | H | 1.389 | 0.001 | 2 |
53 | 1 | 6 | LYS | HG3 | H | 1.499 | 0.001 | 2 |
54 | 1 | 6 | LYS | HD2 | H | 1.682 | 0.000 | 1 |
55 | 1 | 6 | LYS | HD3 | H | 1.682 | 0.000 | 1 |
56 | 1 | 6 | LYS | HE2 | H | 2.988 | 0.001 | 1 |
57 | 1 | 6 | LYS | HE3 | H | 2.988 | 0.001 | 1 |
58 | 1 | 6 | LYS | HZ1 | H | 7.595 | 0.003 | 1 |
59 | 1 | 6 | LYS | HZ2 | H | 7.595 | 0.003 | 1 |
60 | 1 | 6 | LYS | HZ3 | H | 7.595 | 0.003 | 1 |
61 | 1 | 6 | LYS | CA | C | 57.830 | 0.000 | 1 |
62 | 1 | 6 | LYS | CD | C | 28.783 | 0.000 | 1 |
63 | 1 | 6 | LYS | N | N | 119.102 | 0.000 | 1 |
64 | 1 | 7 | VAL | H | H | 7.251 | 0.002 | 1 |
65 | 1 | 7 | VAL | HA | H | 3.835 | 0.002 | 1 |
66 | 1 | 7 | VAL | HB | H | 1.761 | 0.004 | 1 |
67 | 1 | 7 | VAL | HG11 | H | 0.314 | 0.001 | 2 |
68 | 1 | 7 | VAL | HG12 | H | 0.314 | 0.001 | 2 |
69 | 1 | 7 | VAL | HG13 | H | 0.314 | 0.001 | 2 |
70 | 1 | 7 | VAL | HG21 | H | 0.791 | 0.002 | 2 |
71 | 1 | 7 | VAL | HG22 | H | 0.791 | 0.002 | 2 |
72 | 1 | 7 | VAL | HG23 | H | 0.791 | 0.002 | 2 |
73 | 1 | 7 | VAL | CA | C | 63.693 | 0.000 | 1 |
74 | 1 | 7 | VAL | CB | C | 33.567 | 0.000 | 1 |
75 | 1 | 7 | VAL | CG1 | C | 20.464 | 0.000 | 2 |
76 | 1 | 7 | VAL | CG2 | C | 21.108 | 0.000 | 2 |
77 | 1 | 8 | PHE | H | H | 8.231 | 0.002 | 1 |
78 | 1 | 8 | PHE | HA | H | 4.716 | 0.001 | 1 |
79 | 1 | 8 | PHE | HB2 | H | 2.710 | 0.002 | 1 |
80 | 1 | 8 | PHE | HB3 | H | 3.177 | 0.002 | 1 |
81 | 1 | 8 | PHE | HD1 | H | 7.367 | 0.002 | 1 |
82 | 1 | 8 | PHE | HD2 | H | 7.367 | 0.002 | 1 |
83 | 1 | 8 | PHE | HE1 | H | 7.417 | 0.002 | 1 |
84 | 1 | 8 | PHE | HE2 | H | 7.417 | 0.002 | 1 |
85 | 1 | 8 | PHE | CA | C | 57.346 | 0.000 | 1 |
86 | 1 | 8 | PHE | CE1 | C | 131.528 | 0.000 | 1 |
87 | 1 | 8 | PHE | CE2 | C | 131.528 | 0.000 | 1 |
88 | 1 | 8 | PHE | N | N | 123.031 | 0.000 | 1 |
89 | 1 | 9 | VAL | H | H | 6.951 | 0.001 | 1 |
90 | 1 | 9 | VAL | HA | H | 3.750 | 0.001 | 1 |
91 | 1 | 9 | VAL | HB | H | 1.825 | 0.004 | 1 |
92 | 1 | 9 | VAL | HG11 | H | 0.609 | 0.003 | 2 |
93 | 1 | 9 | VAL | HG12 | H | 0.609 | 0.003 | 2 |
94 | 1 | 9 | VAL | HG13 | H | 0.609 | 0.003 | 2 |
95 | 1 | 9 | VAL | HG21 | H | 0.463 | 0.002 | 2 |
96 | 1 | 9 | VAL | HG22 | H | 0.463 | 0.002 | 2 |
97 | 1 | 9 | VAL | HG23 | H | 0.463 | 0.002 | 2 |
98 | 1 | 9 | VAL | CA | C | 63.802 | 0.000 | 1 |
99 | 1 | 9 | VAL | CG1 | C | 20.796 | 0.000 | 2 |
100 | 1 | 9 | VAL | CG2 | C | 19.377 | 0.000 | 2 |
101 | 1 | 9 | VAL | N | N | 113.580 | 0.000 | 1 |
102 | 1 | 10 | PHE | H | H | 8.259 | 0.001 | 1 |
103 | 1 | 10 | PHE | HA | H | 4.665 | 0.001 | 1 |
104 | 1 | 10 | PHE | HB2 | H | 2.975 | 0.002 | 1 |
105 | 1 | 10 | PHE | HB3 | H | 3.373 | 0.000 | 1 |
106 | 1 | 10 | PHE | HD1 | H | 7.256 | 0.002 | 1 |
107 | 1 | 10 | PHE | HD2 | H | 7.256 | 0.002 | 1 |
108 | 1 | 10 | PHE | HE1 | H | 7.356 | 0.001 | 1 |
109 | 1 | 10 | PHE | HE2 | H | 7.356 | 0.001 | 1 |
110 | 1 | 10 | PHE | CA | C | 56.529 | 0.000 | 1 |
111 | 1 | 10 | PHE | CD1 | C | 131.525 | 0.000 | 1 |
112 | 1 | 10 | PHE | CD2 | C | 131.525 | 0.000 | 1 |
113 | 1 | 10 | PHE | N | N | 116.393 | 0.000 | 1 |
114 | 1 | 11 | ALA | H | H | 7.751 | 0.001 | 1 |
115 | 1 | 11 | ALA | HA | H | 4.552 | 0.003 | 1 |
116 | 1 | 11 | ALA | HB1 | H | 1.492 | 0.001 | 1 |
117 | 1 | 11 | ALA | HB2 | H | 1.492 | 0.001 | 1 |
118 | 1 | 11 | ALA | HB3 | H | 1.492 | 0.001 | 1 |
119 | 1 | 11 | ALA | CA | C | 51.304 | 0.000 | 1 |
120 | 1 | 11 | ALA | CB | C | 18.014 | 0.000 | 1 |
121 | 1 | 11 | ALA | N | N | 126.848 | 0.000 | 1 |
122 | 1 | 12 | PRO | HA | H | 4.174 | 0.002 | 1 |
123 | 1 | 12 | PRO | HB2 | H | 2.362 | 0.001 | 2 |
124 | 1 | 12 | PRO | HB3 | H | 2.022 | 0.001 | 2 |
125 | 1 | 12 | PRO | HG2 | H | 2.210 | 0.002 | 2 |
126 | 1 | 12 | PRO | HG3 | H | 2.068 | 0.001 | 2 |
127 | 1 | 12 | PRO | HD2 | H | 4.011 | 0.001 | 2 |
128 | 1 | 12 | PRO | HD3 | H | 3.829 | 0.003 | 2 |
129 | 1 | 12 | PRO | CA | C | 66.185 | 0.000 | 1 |
130 | 1 | 12 | PRO | CB | C | 31.777 | 0.003 | 1 |
131 | 1 | 12 | PRO | CG | C | 27.472 | 0.002 | 1 |
132 | 1 | 12 | PRO | CD | C | 50.258 | 0.000 | 1 |
133 | 1 | 13 | ILE | H | H | 8.015 | 0.001 | 1 |
134 | 1 | 13 | ILE | HA | H | 4.253 | 0.001 | 1 |
135 | 1 | 13 | ILE | HB | H | 1.937 | 0.002 | 1 |
136 | 1 | 13 | ILE | HG12 | H | 1.328 | 0.003 | 2 |
137 | 1 | 13 | ILE | HG13 | H | 1.518 | 0.001 | 2 |
138 | 1 | 13 | ILE | HG21 | H | 0.923 | 0.002 | 1 |
139 | 1 | 13 | ILE | HG22 | H | 0.923 | 0.002 | 1 |
140 | 1 | 13 | ILE | HG23 | H | 0.923 | 0.002 | 1 |
141 | 1 | 13 | ILE | HD11 | H | 0.922 | 0.002 | 1 |
142 | 1 | 13 | ILE | HD12 | H | 0.922 | 0.002 | 1 |
143 | 1 | 13 | ILE | HD13 | H | 0.922 | 0.002 | 1 |
144 | 1 | 13 | ILE | CA | C | 62.104 | 0.000 | 1 |
145 | 1 | 13 | ILE | N | N | 114.528 | 0.000 | 1 |
146 | 1 | 14 | CYS | H | H | 7.959 | 0.002 | 1 |
147 | 1 | 14 | CYS | HA | H | 4.745 | 0.002 | 1 |
148 | 1 | 14 | CYS | HB2 | H | 2.987 | 0.001 | 1 |
149 | 1 | 14 | CYS | HB3 | H | 3.193 | 0.004 | 1 |
150 | 1 | 14 | CYS | CA | C | 54.896 | 0.000 | 1 |
151 | 1 | 14 | CYS | N | N | 120.060 | 0.000 | 1 |
152 | 1 | 15 | ARG | H | H | 7.804 | 0.001 | 1 |
153 | 1 | 15 | ARG | HA | H | 4.342 | 0.002 | 1 |
154 | 1 | 15 | ARG | HB2 | H | 1.962 | 0.002 | 2 |
155 | 1 | 15 | ARG | HB3 | H | 1.849 | 0.001 | 2 |
156 | 1 | 15 | ARG | HG2 | H | 1.700 | 0.001 | 1 |
157 | 1 | 15 | ARG | HG3 | H | 1.700 | 0.001 | 1 |
158 | 1 | 15 | ARG | HD2 | H | 3.213 | 0.004 | 1 |
159 | 1 | 15 | ARG | HD3 | H | 3.213 | 0.004 | 1 |
160 | 1 | 15 | ARG | HE | H | 7.243 | 0.002 | 1 |
161 | 1 | 15 | ARG | CA | C | 56.736 | 0.000 | 1 |
162 | 1 | 15 | ARG | N | N | 121.362 | 0.000 | 1 |
163 | 1 | 15 | ARG | NE | N | 84.139 | 0.000 | 1 |
164 | 1 | 16 | GLY | H | H | 8.444 | 0.001 | 1 |
165 | 1 | 16 | GLY | HA2 | H | 3.932 | 0.003 | 2 |
166 | 1 | 16 | GLY | HA3 | H | 4.007 | 0.001 | 2 |
167 | 1 | 16 | GLY | CA | C | 45.421 | 0.000 | 1 |
168 | 1 | 16 | GLY | N | N | 110.037 | 0.000 | 1 |
169 | 1 | 17 | VAL | H | H | 7.830 | 0.002 | 1 |
170 | 1 | 17 | VAL | HA | H | 4.134 | 0.001 | 1 |
171 | 1 | 17 | VAL | HB | H | 2.082 | 0.000 | 1 |
172 | 1 | 17 | VAL | HG11 | H | 0.940 | 0.002 | 2 |
173 | 1 | 17 | VAL | HG12 | H | 0.940 | 0.002 | 2 |
174 | 1 | 17 | VAL | HG13 | H | 0.940 | 0.002 | 2 |
175 | 1 | 17 | VAL | HG21 | H | 0.922 | 0.002 | 2 |
176 | 1 | 17 | VAL | HG22 | H | 0.922 | 0.002 | 2 |
177 | 1 | 17 | VAL | HG23 | H | 0.922 | 0.002 | 2 |
178 | 1 | 17 | VAL | CA | C | 61.954 | 0.000 | 1 |
179 | 1 | 17 | VAL | N | N | 119.125 | 0.000 | 1 |
180 | 1 | 18 | ALA | H | H | 8.464 | 0.001 | 1 |
181 | 1 | 18 | ALA | HA | H | 4.318 | 0.001 | 1 |
182 | 1 | 18 | ALA | HB1 | H | 1.380 | 0.002 | 1 |
183 | 1 | 18 | ALA | HB2 | H | 1.380 | 0.002 | 1 |
184 | 1 | 18 | ALA | HB3 | H | 1.380 | 0.002 | 1 |
185 | 1 | 18 | ALA | CA | C | 52.228 | 0.000 | 1 |
186 | 1 | 18 | ALA | CB | C | 19.064 | 0.000 | 1 |
187 | 1 | 18 | ALA | N | N | 128.629 | 0.000 | 1 |
188 | 1 | 19 | ALA | H | H | 7.988 | 0.002 | 1 |
189 | 1 | 19 | ALA | HA | H | 4.093 | 0.000 | 1 |
190 | 1 | 19 | ALA | HB1 | H | 1.323 | 0.001 | 1 |
191 | 1 | 19 | ALA | HB2 | H | 1.323 | 0.001 | 1 |
192 | 1 | 19 | ALA | HB3 | H | 1.323 | 0.001 | 1 |
193 | 1 | 19 | ALA | CA | C | 53.606 | 0.000 | 1 |
194 | 1 | 19 | ALA | CB | C | 20.069 | 0.000 | 1 |
195 | 1 | 19 | ALA | N | N | 129.241 | 0.000 | 1 |