A quadruplex-duplex hybrid with a three-layered hybrid-2 G-quadruplex topology
ID | Entity ID | Seq ID | Comp ID | Atom ID | Atom type | Val | Val err | Ambig. code |
---|---|---|---|---|---|---|---|---|
1 | 1 | 1 | DG | H1 | H | 11.927 | 0.002 | 1 |
2 | 1 | 1 | DG | H1' | H | 6.128 | 0.003 | 1 |
3 | 1 | 1 | DG | H2' | H | 2.904 | 0.004 | 1 |
4 | 1 | 1 | DG | H2'' | H | 3.196 | 0.003 | 1 |
5 | 1 | 1 | DG | H3' | H | 4.988 | 0.004 | 1 |
6 | 1 | 1 | DG | H8 | H | 7.488 | 0.002 | 1 |
7 | 1 | 1 | DG | C5 | C | 119.311 | 0.017 | 1 |
8 | 1 | 1 | DG | C8 | C | 141.946 | 1 | |
9 | 1 | 2 | DG | H1 | H | 11.672 | 0.004 | 1 |
10 | 1 | 2 | DG | H1' | H | 5.987 | 0.003 | 1 |
11 | 1 | 2 | DG | H2' | H | 2.575 | 0.006 | 1 |
12 | 1 | 2 | DG | H2'' | H | 2.908 | 0.004 | 1 |
13 | 1 | 2 | DG | H3' | H | 5.099 | 0.004 | 1 |
14 | 1 | 2 | DG | H8 | H | 8.036 | 0.001 | 1 |
15 | 1 | 2 | DG | C8 | C | 138.913 | 1 | |
16 | 1 | 3 | DG | H1 | H | 10.845 | 0.003 | 1 |
17 | 1 | 3 | DG | H1' | H | 5.906 | 0.003 | 1 |
18 | 1 | 3 | DG | H2' | H | 2.514 | 0.002 | 1 |
19 | 1 | 3 | DG | H2'' | H | 2.595 | 0.003 | 1 |
20 | 1 | 3 | DG | H3' | H | 4.995 | 0.002 | 1 |
21 | 1 | 3 | DG | H8 | H | 7.711 | 0.002 | 1 |
22 | 1 | 3 | DG | C8 | C | 138.056 | 1 | |
23 | 1 | 4 | DC | H1' | H | 5.929 | 0.006 | 1 |
24 | 1 | 4 | DC | H2' | H | 2.035 | 0.001 | 1 |
25 | 1 | 4 | DC | H2'' | H | 2.427 | 0.001 | 1 |
26 | 1 | 4 | DC | H3' | H | 4.921 | 0.002 | 1 |
27 | 1 | 4 | DC | H5 | H | 5.363 | 0.002 | 1 |
28 | 1 | 4 | DC | H6 | H | 7.440 | 0.002 | 1 |
29 | 1 | 4 | DC | H41 | H | 8.161 | 0.001 | 1 |
30 | 1 | 4 | DC | H42 | H | 6.220 | 0.002 | 1 |
31 | 1 | 4 | DC | C6 | C | 142.914 | 1 | |
32 | 1 | 5 | DG | H1 | H | 12.790 | 0.002 | 1 |
33 | 1 | 5 | DG | H1' | H | 5.768 | 0.002 | 1 |
34 | 1 | 5 | DG | H2' | H | 2.580 | 0.004 | 1 |
35 | 1 | 5 | DG | H2'' | H | 2.659 | 0.002 | 1 |
36 | 1 | 5 | DG | H3' | H | 4.940 | 0.004 | 1 |
37 | 1 | 5 | DG | H8 | H | 7.836 | 0.003 | 1 |
38 | 1 | 5 | DG | C8 | C | 138.015 | 1 | |
39 | 1 | 6 | DC | H1' | H | 5.497 | 0.002 | 1 |
40 | 1 | 6 | DC | H2' | H | 1.775 | 0.002 | 1 |
41 | 1 | 6 | DC | H2'' | H | 2.217 | 0.002 | 1 |
42 | 1 | 6 | DC | H3' | H | 4.739 | 0.001 | 1 |
43 | 1 | 6 | DC | H5 | H | 5.320 | 0.004 | 1 |
44 | 1 | 6 | DC | H6 | H | 7.170 | 0.002 | 1 |
45 | 1 | 6 | DC | H41 | H | 8.240 | 0.001 | 1 |
46 | 1 | 6 | DC | H42 | H | 6.315 | 0.003 | 1 |
47 | 1 | 6 | DC | C6 | C | 142.151 | 1 | |
48 | 1 | 7 | DG | H1 | H | 12.695 | 0.002 | 1 |
49 | 1 | 7 | DG | H1' | H | 5.341 | 0.003 | 1 |
50 | 1 | 7 | DG | H2' | H | 2.575 | 0.004 | 1 |
51 | 1 | 7 | DG | H2'' | H | 2.653 | 0.003 | 1 |
52 | 1 | 7 | DG | H3' | H | 4.912 | 0.001 | 1 |
53 | 1 | 7 | DG | H8 | H | 7.798 | 0.002 | 1 |
54 | 1 | 7 | DG | C8 | C | 138.245 | 1 | |
55 | 1 | 8 | DA | H1' | H | 5.852 | 0.003 | 1 |
56 | 1 | 8 | DA | H2 | H | 7.540 | 0.002 | 1 |
57 | 1 | 8 | DA | H2' | H | 2.262 | 0.002 | 1 |
58 | 1 | 8 | DA | H2'' | H | 2.578 | 0.002 | 1 |
59 | 1 | 8 | DA | H3' | H | 4.923 | 0.002 | 1 |
60 | 1 | 8 | DA | H8 | H | 7.867 | 0.001 | 1 |
61 | 1 | 8 | DA | C2 | C | 154.472 | 1 | |
62 | 1 | 8 | DA | C8 | C | 140.957 | 1 | |
63 | 1 | 9 | DA | H1' | H | 5.853 | 0.002 | 1 |
64 | 1 | 9 | DA | H2 | H | 7.672 | 0.003 | 1 |
65 | 1 | 9 | DA | H2' | H | 2.027 | 0.003 | 1 |
66 | 1 | 9 | DA | H2'' | H | 2.391 | 0.001 | 1 |
67 | 1 | 9 | DA | H3' | H | 4.852 | 0.001 | 1 |
68 | 1 | 9 | DA | H8 | H | 7.420 | 0.001 | 1 |
69 | 1 | 9 | DA | C2 | C | 155.016 | 1 | |
70 | 1 | 9 | DA | C8 | C | 139.858 | 1 | |
71 | 1 | 10 | DG | H1' | H | 5.355 | 0.003 | 1 |
72 | 1 | 10 | DG | H2' | H | 2.603 | 0.003 | 1 |
73 | 1 | 10 | DG | H2'' | H | 2.320 | 0.002 | 1 |
74 | 1 | 10 | DG | H3' | H | 4.788 | 0.0 | 1 |
75 | 1 | 10 | DG | H8 | H | 8.020 | 0.002 | 1 |
76 | 1 | 10 | DG | C8 | C | 138.968 | 1 | |
77 | 1 | 11 | DC | H1' | H | 5.670 | 0.003 | 1 |
78 | 1 | 11 | DC | H2' | H | 1.569 | 0.004 | 1 |
79 | 1 | 11 | DC | H2'' | H | 2.018 | 0.002 | 1 |
80 | 1 | 11 | DC | H3' | H | 4.387 | 0.001 | 1 |
81 | 1 | 11 | DC | H5 | H | 5.179 | 0.002 | 1 |
82 | 1 | 11 | DC | H6 | H | 7.161 | 0.003 | 1 |
83 | 1 | 11 | DC | C6 | C | 143.455 | 1 | |
84 | 1 | 12 | DA | H1' | H | 6.290 | 0.002 | 1 |
85 | 1 | 12 | DA | H2 | H | 8.015 | 0.002 | 1 |
86 | 1 | 12 | DA | H2' | H | 2.979 | 0.002 | 1 |
87 | 1 | 12 | DA | H2'' | H | 2.920 | 0.003 | 1 |
88 | 1 | 12 | DA | H3' | H | 4.793 | 0.002 | 1 |
89 | 1 | 12 | DA | H8 | H | 8.057 | 0.002 | 1 |
90 | 1 | 12 | DA | C2 | C | 155.474 | 1 | |
91 | 1 | 12 | DA | C8 | C | 143.128 | 1 | |
92 | 1 | 13 | DT | H1' | H | 5.650 | 0.004 | 1 |
93 | 1 | 13 | DT | H2' | H | 2.081 | 0.002 | 1 |
94 | 1 | 13 | DT | H2'' | H | 2.476 | 0.002 | 1 |
95 | 1 | 13 | DT | H3 | H | 13.282 | 0.0 | 1 |
96 | 1 | 13 | DT | H3' | H | 4.736 | 0.001 | 1 |
97 | 1 | 13 | DT | H6 | H | 7.377 | 0.001 | 1 |
98 | 1 | 13 | DT | H71 | H | 1.808 | 0.002 | 1 |
99 | 1 | 13 | DT | H72 | H | 1.808 | 0.002 | 1 |
100 | 1 | 13 | DT | H73 | H | 1.808 | 0.002 | 1 |
101 | 1 | 13 | DT | C6 | C | 139.349 | 1 | |
102 | 1 | 14 | DT | H1' | H | 6.018 | 0.003 | 1 |
103 | 1 | 14 | DT | H2' | H | 2.151 | 0.004 | 1 |
104 | 1 | 14 | DT | H2'' | H | 2.437 | 0.0 | 1 |
105 | 1 | 14 | DT | H3 | H | 13.863 | 0.003 | 1 |
106 | 1 | 14 | DT | H3' | H | 4.838 | 0.002 | 1 |
107 | 1 | 14 | DT | H6 | H | 7.386 | 0.001 | 1 |
108 | 1 | 14 | DT | H71 | H | 1.590 | 0.002 | 1 |
109 | 1 | 14 | DT | H72 | H | 1.590 | 0.002 | 1 |
110 | 1 | 14 | DT | H73 | H | 1.590 | 0.002 | 1 |
111 | 1 | 14 | DT | C6 | C | 139.854 | 1 | |
112 | 1 | 15 | DC | H1' | H | 5.525 | 0.002 | 1 |
113 | 1 | 15 | DC | H2' | H | 1.970 | 0.003 | 1 |
114 | 1 | 15 | DC | H2'' | H | 2.265 | 0.003 | 1 |
115 | 1 | 15 | DC | H3' | H | 4.775 | 0.0 | 1 |
116 | 1 | 15 | DC | H5 | H | 5.616 | 0.003 | 1 |
117 | 1 | 15 | DC | H6 | H | 7.420 | 0.002 | 1 |
118 | 1 | 15 | DC | H41 | H | 8.479 | 0.002 | 1 |
119 | 1 | 15 | DC | H42 | H | 6.854 | 0.002 | 1 |
120 | 1 | 15 | DC | C6 | C | 143.559 | 1 | |
121 | 1 | 16 | DG | H1 | H | 12.745 | 0.003 | 1 |
122 | 1 | 16 | DG | H1' | H | 5.611 | 0.003 | 1 |
123 | 1 | 16 | DG | H2' | H | 2.397 | 0.002 | 1 |
124 | 1 | 16 | DG | H2'' | H | 2.398 | 0.001 | 1 |
125 | 1 | 16 | DG | H3' | H | 4.784 | 0.002 | 1 |
126 | 1 | 16 | DG | H8 | H | 7.708 | 0.001 | 1 |
127 | 1 | 16 | DG | C8 | C | 138.047 | 1 | |
128 | 1 | 17 | DC | H1' | H | 5.498 | 0.002 | 1 |
129 | 1 | 17 | DC | H2' | H | 1.591 | 0.003 | 1 |
130 | 1 | 17 | DC | H2'' | H | 2.041 | 0.003 | 1 |
131 | 1 | 17 | DC | H3' | H | 4.545 | 1 | |
132 | 1 | 17 | DC | H5 | H | 5.120 | 0.002 | 1 |
133 | 1 | 17 | DC | H6 | H | 7.011 | 0.002 | 1 |
134 | 1 | 17 | DC | H41 | H | 7.991 | 0.001 | 1 |
135 | 1 | 17 | DC | H42 | H | 5.995 | 0.003 | 1 |
136 | 1 | 17 | DC | C6 | C | 142.825 | 1 | |
137 | 1 | 18 | DG | H1 | H | 13.102 | 0.002 | 1 |
138 | 1 | 18 | DG | H1' | H | 5.668 | 0.001 | 1 |
139 | 1 | 18 | DG | H2' | H | 2.371 | 0.002 | 1 |
140 | 1 | 18 | DG | H2'' | H | 2.797 | 0.0 | 1 |
141 | 1 | 18 | DG | H3' | H | 4.838 | 1 | |
142 | 1 | 18 | DG | H8 | H | 7.490 | 0.002 | 1 |
143 | 1 | 18 | DG | C5 | C | 117.214 | 1 | |
144 | 1 | 18 | DG | C8 | C | 137.640 | 1 | |
145 | 1 | 19 | DG | H1 | H | 11.003 | 0.003 | 1 |
146 | 1 | 19 | DG | H1' | H | 5.909 | 0.003 | 1 |
147 | 1 | 19 | DG | H2' | H | 3.041 | 0.002 | 1 |
148 | 1 | 19 | DG | H2'' | H | 2.769 | 0.003 | 1 |
149 | 1 | 19 | DG | H3' | H | 4.843 | 0.002 | 1 |
150 | 1 | 19 | DG | H8 | H | 7.247 | 0.003 | 1 |
151 | 1 | 19 | DG | C5 | C | 118.105 | 0.006 | 1 |
152 | 1 | 19 | DG | C8 | C | 141.946 | 1 | |
153 | 1 | 20 | DG | H1 | H | 11.098 | 0.002 | 1 |
154 | 1 | 20 | DG | H1' | H | 5.682 | 0.003 | 1 |
155 | 1 | 20 | DG | H2' | H | 2.648 | 0.001 | 1 |
156 | 1 | 20 | DG | H2'' | H | 2.492 | 0.003 | 1 |
157 | 1 | 20 | DG | H3' | H | 4.938 | 0.002 | 1 |
158 | 1 | 20 | DG | H8 | H | 7.195 | 0.004 | 1 |
159 | 1 | 20 | DG | C5 | C | 118.383 | 0.022 | 1 |
160 | 1 | 20 | DG | C8 | C | 141.076 | 1 | |
161 | 1 | 21 | DG | H1 | H | 11.174 | 0.004 | 1 |
162 | 1 | 21 | DG | H1' | H | 5.908 | 0.004 | 1 |
163 | 1 | 21 | DG | H2' | H | 2.587 | 0.005 | 1 |
164 | 1 | 21 | DG | H2'' | H | 2.506 | 0.003 | 1 |
165 | 1 | 21 | DG | H3' | H | 5.090 | 0.002 | 1 |
166 | 1 | 21 | DG | H8 | H | 7.762 | 0.002 | 1 |
167 | 1 | 21 | DG | C5 | C | 116.619 | 0.009 | 1 |
168 | 1 | 21 | DG | C8 | C | 138.035 | 1 | |
169 | 1 | 22 | DT | H1' | H | 6.280 | 0.003 | 1 |
170 | 1 | 22 | DT | H2' | H | 2.299 | 0.005 | 1 |
171 | 1 | 22 | DT | H2'' | H | 2.502 | 0.004 | 1 |
172 | 1 | 22 | DT | H3' | H | 4.844 | 0.002 | 1 |
173 | 1 | 22 | DT | H6 | H | 7.833 | 0.002 | 1 |
174 | 1 | 22 | DT | H71 | H | 1.959 | 1 | |
175 | 1 | 22 | DT | H72 | H | 1.959 | 1 | |
176 | 1 | 22 | DT | H73 | H | 1.959 | 1 | |
177 | 1 | 22 | DT | C6 | C | 140.055 | 1 | |
178 | 1 | 23 | DT | H1' | H | 5.778 | 0.003 | 1 |
179 | 1 | 23 | DT | H2' | H | 1.204 | 0.002 | 1 |
180 | 1 | 23 | DT | H2'' | H | 1.766 | 0.002 | 1 |
181 | 1 | 23 | DT | H3' | H | 4.611 | 0.001 | 1 |
182 | 1 | 23 | DT | H6 | H | 7.225 | 0.002 | 1 |
183 | 1 | 23 | DT | H71 | H | 1.599 | 0.004 | 1 |
184 | 1 | 23 | DT | H72 | H | 1.599 | 0.004 | 1 |
185 | 1 | 23 | DT | H73 | H | 1.599 | 0.004 | 1 |
186 | 1 | 23 | DT | C6 | C | 138.633 | 1 | |
187 | 1 | 24 | DA | H1' | H | 5.854 | 0.003 | 1 |
188 | 1 | 24 | DA | H2 | H | 7.689 | 0.002 | 1 |
189 | 1 | 24 | DA | H2' | H | 2.689 | 0.004 | 1 |
190 | 1 | 24 | DA | H2'' | H | 2.694 | 0.004 | 1 |
191 | 1 | 24 | DA | H3' | H | 4.926 | 1 | |
192 | 1 | 24 | DA | H8 | H | 7.887 | 0.001 | 1 |
193 | 1 | 24 | DA | C2 | C | 155.410 | 1 | |
194 | 1 | 24 | DA | C8 | C | 141.182 | 1 | |
195 | 1 | 25 | DG | H1 | H | 11.017 | 0.003 | 1 |
196 | 1 | 25 | DG | H1' | H | 6.078 | 0.002 | 1 |
197 | 1 | 25 | DG | H2' | H | 3.429 | 0.002 | 1 |
198 | 1 | 25 | DG | H2'' | H | 3.001 | 0.002 | 1 |
199 | 1 | 25 | DG | H3' | H | 4.912 | 0.001 | 1 |
200 | 1 | 25 | DG | H8 | H | 7.492 | 0.002 | 1 |
201 | 1 | 25 | DG | C5 | C | 118.662 | 1 | |
202 | 1 | 25 | DG | C8 | C | 142.482 | 1 | |
203 | 1 | 26 | DG | H1 | H | 11.395 | 0.004 | 1 |
204 | 1 | 26 | DG | H1' | H | 6.035 | 0.004 | 1 |
205 | 1 | 26 | DG | H2' | H | 2.507 | 0.005 | 1 |
206 | 1 | 26 | DG | H2'' | H | 2.919 | 0.003 | 1 |
207 | 1 | 26 | DG | H3' | H | 5.002 | 0.003 | 1 |
208 | 1 | 26 | DG | H8 | H | 7.822 | 0.002 | 1 |
209 | 1 | 26 | DG | C5 | C | 116.620 | 0.001 | 1 |
210 | 1 | 26 | DG | C8 | C | 138.247 | 1 | |
211 | 1 | 27 | DG | H1 | H | 11.017 | 0.003 | 1 |
212 | 1 | 27 | DG | H1' | H | 6.487 | 0.002 | 1 |
213 | 1 | 27 | DG | H2' | H | 2.669 | 0.002 | 1 |
214 | 1 | 27 | DG | H2'' | H | 2.671 | 0.001 | 1 |
215 | 1 | 27 | DG | H3' | H | 5.130 | 0.002 | 1 |
216 | 1 | 27 | DG | H4' | H | 4.707 | 0.001 | 1 |
217 | 1 | 27 | DG | H8 | H | 7.700 | 0.002 | 1 |
218 | 1 | 27 | DG | C8 | C | 138.849 | 1 | |
219 | 1 | 28 | DT | H1' | H | 6.521 | 0.002 | 1 |
220 | 1 | 28 | DT | H2' | H | 2.428 | 0.002 | 1 |
221 | 1 | 28 | DT | H2'' | H | 2.756 | 0.001 | 1 |
222 | 1 | 28 | DT | H3' | H | 5.132 | 0.002 | 1 |
223 | 1 | 28 | DT | H4' | H | 4.787 | 0.001 | 1 |
224 | 1 | 28 | DT | H6 | H | 7.887 | 0.002 | 1 |
225 | 1 | 28 | DT | H71 | H | 1.994 | 0.001 | 1 |
226 | 1 | 28 | DT | H72 | H | 1.994 | 0.001 | 1 |
227 | 1 | 28 | DT | H73 | H | 1.994 | 0.001 | 1 |
228 | 1 | 28 | DT | C6 | C | 139.920 | 1 | |
229 | 1 | 29 | DG | H1 | H | 11.730 | 0.002 | 1 |
230 | 1 | 29 | DG | H1' | H | 6.052 | 0.001 | 1 |
231 | 1 | 29 | DG | H2' | H | 2.963 | 0.004 | 1 |
232 | 1 | 29 | DG | H2'' | H | 3.077 | 0.002 | 1 |
233 | 1 | 29 | DG | H3' | H | 5.119 | 0.001 | 1 |
234 | 1 | 29 | DG | H8 | H | 7.430 | 0.002 | 1 |
235 | 1 | 29 | DG | C5 | C | 119.107 | 0.024 | 1 |
236 | 1 | 29 | DG | C8 | C | 141.818 | 1 | |
237 | 1 | 30 | DG | H1 | H | 11.685 | 0.003 | 1 |
238 | 1 | 30 | DG | H1' | H | 5.946 | 0.003 | 1 |
239 | 1 | 30 | DG | H2' | H | 2.669 | 0.002 | 1 |
240 | 1 | 30 | DG | H2'' | H | 2.754 | 0.002 | 1 |
241 | 1 | 30 | DG | H3' | H | 5.117 | 0.002 | 1 |
242 | 1 | 30 | DG | H8 | H | 8.167 | 0.002 | 1 |
243 | 1 | 30 | DG | C5 | C | 116.728 | 0.001 | 1 |
244 | 1 | 30 | DG | C8 | C | 139.492 | 1 | |
245 | 1 | 31 | DG | H1 | H | 11.421 | 0.003 | 1 |
246 | 1 | 31 | DG | H1' | H | 6.418 | 0.002 | 1 |
247 | 1 | 31 | DG | H2' | H | 2.559 | 0.004 | 1 |
248 | 1 | 31 | DG | H2'' | H | 2.483 | 0.001 | 1 |
249 | 1 | 31 | DG | H3' | H | 4.698 | 0.001 | 1 |
250 | 1 | 31 | DG | H8 | H | 7.820 | 0.001 | 1 |
251 | 1 | 31 | DG | C5 | C | 117.213 | 0.0 | 1 |
252 | 1 | 31 | DG | C8 | C | 138.252 | 1 |