A quadruplex-duplex hybrid with a three-layered chair 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 | 11.679 | 0.002 | 1 |
2 | 1 | 1 | DG | H1' | H | 6.133 | 0.003 | 1 |
3 | 1 | 1 | DG | H2' | H | 2.585 | 0.003 | 1 |
4 | 1 | 1 | DG | H2'' | H | 3.213 | 0.002 | 1 |
5 | 1 | 1 | DG | H3' | H | 5.009 | 0.003 | 1 |
6 | 1 | 1 | DG | H8 | H | 7.417 | 0.003 | 1 |
7 | 1 | 1 | DG | C8 | C | 141.348 | 1 | |
8 | 1 | 2 | DG | H1 | H | 11.903 | 0.005 | 1 |
9 | 1 | 2 | DG | H1' | H | 5.924 | 0.002 | 1 |
10 | 1 | 2 | DG | H2' | H | 2.520 | 0.003 | 1 |
11 | 1 | 2 | DG | H2'' | H | 2.845 | 0.002 | 1 |
12 | 1 | 2 | DG | H3' | H | 5.107 | 0.001 | 1 |
13 | 1 | 2 | DG | H8 | H | 7.908 | 0.002 | 1 |
14 | 1 | 2 | DG | C8 | C | 138.135 | 1 | |
15 | 1 | 3 | DG | H1 | H | 11.237 | 0.003 | 1 |
16 | 1 | 3 | DG | H1' | H | 5.904 | 0.002 | 1 |
17 | 1 | 3 | DG | H2' | H | 2.775 | 0.003 | 1 |
18 | 1 | 3 | DG | H2'' | H | 2.499 | 0.003 | 1 |
19 | 1 | 3 | DG | H3' | H | 5.012 | 0.001 | 1 |
20 | 1 | 3 | DG | H8 | H | 7.953 | 0.002 | 1 |
21 | 1 | 3 | DG | C8 | C | 138.759 | 1 | |
22 | 1 | 4 | DC | H1' | H | 6.174 | 0.003 | 1 |
23 | 1 | 4 | DC | H2' | H | 1.965 | 0.002 | 1 |
24 | 1 | 4 | DC | H2'' | H | 2.606 | 0.004 | 1 |
25 | 1 | 4 | DC | H3' | H | 5.016 | 0.002 | 1 |
26 | 1 | 4 | DC | H5 | H | 5.696 | 0.003 | 1 |
27 | 1 | 4 | DC | H6 | H | 7.540 | 0.003 | 1 |
28 | 1 | 4 | DC | H41 | H | 8.102 | 0.005 | 1 |
29 | 1 | 4 | DC | H42 | H | 7.412 | 0.003 | 1 |
30 | 1 | 4 | DC | C6 | C | 142.956 | 1 | |
31 | 1 | 5 | DG | H1 | H | 12.644 | 0.003 | 1 |
32 | 1 | 5 | DG | H1' | H | 5.518 | 0.005 | 1 |
33 | 1 | 5 | DG | H2' | H | 2.610 | 0.002 | 1 |
34 | 1 | 5 | DG | H2'' | H | 2.521 | 0.002 | 1 |
35 | 1 | 5 | DG | H3' | H | 4.953 | 0.003 | 1 |
36 | 1 | 5 | DG | H8 | H | 7.913 | 0.003 | 1 |
37 | 1 | 5 | DG | C8 | C | 138.127 | 1 | |
38 | 1 | 6 | DC | H1' | H | 5.677 | 0.003 | 1 |
39 | 1 | 6 | DC | H2' | H | 1.803 | 0.002 | 1 |
40 | 1 | 6 | DC | H2'' | H | 2.261 | 0.004 | 1 |
41 | 1 | 6 | DC | H3' | H | 4.806 | 0.002 | 1 |
42 | 1 | 6 | DC | H5 | H | 5.448 | 0.001 | 1 |
43 | 1 | 6 | DC | H6 | H | 7.282 | 0.003 | 1 |
44 | 1 | 6 | DC | H41 | H | 8.099 | 0.003 | 1 |
45 | 1 | 6 | DC | H42 | H | 6.349 | 0.002 | 1 |
46 | 1 | 6 | DC | C6 | C | 142.699 | 1 | |
47 | 1 | 7 | DG | H1 | H | 12.773 | 0.002 | 1 |
48 | 1 | 7 | DG | H1' | H | 5.245 | 0.002 | 1 |
49 | 1 | 7 | DG | H2' | H | 2.612 | 0.001 | 1 |
50 | 1 | 7 | DG | H2'' | H | 2.653 | 0.003 | 1 |
51 | 1 | 7 | DG | H3' | H | 4.921 | 0.0 | 1 |
52 | 1 | 7 | DG | H8 | H | 7.849 | 0.001 | 1 |
53 | 1 | 7 | DG | C8 | C | 138.187 | 1 | |
54 | 1 | 8 | DA | H1' | H | 5.861 | 0.004 | 1 |
55 | 1 | 8 | DA | H2 | H | 7.547 | 0.003 | 1 |
56 | 1 | 8 | DA | H2' | H | 2.289 | 0.001 | 1 |
57 | 1 | 8 | DA | H2'' | H | 2.590 | 0.004 | 1 |
58 | 1 | 8 | DA | H3' | H | 4.935 | 0.0 | 1 |
59 | 1 | 8 | DA | H8 | H | 7.891 | 0.001 | 1 |
60 | 1 | 8 | DA | C2 | C | 154.454 | 0.0 | 1 |
61 | 1 | 8 | DA | C8 | C | 141.030 | 1 | |
62 | 1 | 9 | DA | H1' | H | 5.852 | 0.004 | 1 |
63 | 1 | 9 | DA | H2 | H | 7.667 | 0.002 | 1 |
64 | 1 | 9 | DA | H2' | H | 2.038 | 0.005 | 1 |
65 | 1 | 9 | DA | H2'' | H | 2.393 | 0.004 | 1 |
66 | 1 | 9 | DA | H3' | H | 4.858 | 0.001 | 1 |
67 | 1 | 9 | DA | H8 | H | 7.437 | 0.002 | 1 |
68 | 1 | 9 | DA | C2 | C | 154.965 | 0.003 | 1 |
69 | 1 | 9 | DA | C8 | C | 139.835 | 1 | |
70 | 1 | 10 | DG | H1' | H | 5.350 | 0.003 | 1 |
71 | 1 | 10 | DG | H2' | H | 2.622 | 0.002 | 1 |
72 | 1 | 10 | DG | H2'' | H | 2.321 | 0.002 | 1 |
73 | 1 | 10 | DG | H3' | H | 4.801 | 0.001 | 1 |
74 | 1 | 10 | DG | H8 | H | 8.039 | 0.003 | 1 |
75 | 1 | 10 | DG | C8 | C | 138.961 | 1 | |
76 | 1 | 11 | DC | H1' | H | 5.676 | 0.006 | 1 |
77 | 1 | 11 | DC | H2' | H | 1.577 | 0.003 | 1 |
78 | 1 | 11 | DC | H2'' | H | 2.022 | 0.002 | 1 |
79 | 1 | 11 | DC | H3' | H | 4.395 | 0.0 | 1 |
80 | 1 | 11 | DC | H5 | H | 5.184 | 0.004 | 1 |
81 | 1 | 11 | DC | H6 | H | 7.165 | 0.002 | 1 |
82 | 1 | 11 | DC | C6 | C | 143.441 | 1 | |
83 | 1 | 12 | DA | H1' | H | 6.294 | 0.002 | 1 |
84 | 1 | 12 | DA | H2 | H | 8.021 | 0.003 | 1 |
85 | 1 | 12 | DA | H2' | H | 2.996 | 0.004 | 1 |
86 | 1 | 12 | DA | H2'' | H | 2.925 | 0.003 | 1 |
87 | 1 | 12 | DA | H3' | H | 4.805 | 0.001 | 1 |
88 | 1 | 12 | DA | H8 | H | 8.064 | 0.002 | 1 |
89 | 1 | 12 | DA | C2 | C | 155.440 | 0.001 | 1 |
90 | 1 | 12 | DA | C8 | C | 143.158 | 1 | |
91 | 1 | 13 | DT | H1' | H | 5.649 | 0.003 | 1 |
92 | 1 | 13 | DT | H2' | H | 2.100 | 0.003 | 1 |
93 | 1 | 13 | DT | H2'' | H | 2.466 | 0.003 | 1 |
94 | 1 | 13 | DT | H3 | H | 13.316 | 0.001 | 1 |
95 | 1 | 13 | DT | H3' | H | 4.747 | 0.001 | 1 |
96 | 1 | 13 | DT | H6 | H | 7.394 | 0.002 | 1 |
97 | 1 | 13 | DT | H71 | H | 1.817 | 0.001 | 1 |
98 | 1 | 13 | DT | H72 | H | 1.817 | 0.001 | 1 |
99 | 1 | 13 | DT | H73 | H | 1.817 | 0.001 | 1 |
100 | 1 | 13 | DT | C6 | C | 139.390 | 1 | |
101 | 1 | 14 | DT | H1' | H | 6.012 | 0.003 | 1 |
102 | 1 | 14 | DT | H2' | H | 2.124 | 0.004 | 1 |
103 | 1 | 14 | DT | H2'' | H | 2.395 | 0.002 | 1 |
104 | 1 | 14 | DT | H3 | H | 13.880 | 0.003 | 1 |
105 | 1 | 14 | DT | H3' | H | 4.836 | 0.001 | 1 |
106 | 1 | 14 | DT | H6 | H | 7.392 | 0.002 | 1 |
107 | 1 | 14 | DT | H71 | H | 1.603 | 0.003 | 1 |
108 | 1 | 14 | DT | H72 | H | 1.603 | 0.003 | 1 |
109 | 1 | 14 | DT | H73 | H | 1.603 | 0.003 | 1 |
110 | 1 | 14 | DT | C6 | C | 139.840 | 1 | |
111 | 1 | 15 | DC | H1' | H | 5.423 | 0.002 | 1 |
112 | 1 | 15 | DC | H2' | H | 2.003 | 0.007 | 1 |
113 | 1 | 15 | DC | H2'' | H | 2.216 | 0.003 | 1 |
114 | 1 | 15 | DC | H3' | H | 4.743 | 0.003 | 1 |
115 | 1 | 15 | DC | H5 | H | 5.629 | 0.002 | 1 |
116 | 1 | 15 | DC | H6 | H | 7.445 | 0.002 | 1 |
117 | 1 | 15 | DC | H41 | H | 8.467 | 0.001 | 1 |
118 | 1 | 15 | DC | H42 | H | 6.888 | 0.003 | 1 |
119 | 1 | 15 | DC | C6 | C | 143.686 | 1 | |
120 | 1 | 16 | DG | H1 | H | 12.771 | 0.004 | 1 |
121 | 1 | 16 | DG | H1' | H | 5.662 | 0.001 | 1 |
122 | 1 | 16 | DG | H2' | H | 2.199 | 0.002 | 1 |
123 | 1 | 16 | DG | H2'' | H | 2.199 | 0.004 | 1 |
124 | 1 | 16 | DG | H3' | H | 4.695 | 0.001 | 1 |
125 | 1 | 16 | DG | H8 | H | 7.578 | 0.004 | 1 |
126 | 1 | 16 | DG | C8 | C | 138.174 | 1 | |
127 | 1 | 17 | DC | H1' | H | 5.321 | 0.004 | 1 |
128 | 1 | 17 | DC | H2' | H | 1.691 | 0.006 | 1 |
129 | 1 | 17 | DC | H2'' | H | 2.015 | 0.002 | 1 |
130 | 1 | 17 | DC | H3' | H | 4.561 | 0.003 | 1 |
131 | 1 | 17 | DC | H5 | H | 4.431 | 0.003 | 1 |
132 | 1 | 17 | DC | H6 | H | 7.035 | 0.002 | 1 |
133 | 1 | 17 | DC | H41 | H | 7.881 | 0.003 | 1 |
134 | 1 | 17 | DC | H42 | H | 6.666 | 0.006 | 1 |
135 | 1 | 17 | DC | C6 | C | 142.785 | 1 | |
136 | 1 | 18 | DG | H1 | H | 13.616 | 0.005 | 1 |
137 | 1 | 18 | DG | H1' | H | 6.037 | 0.002 | 1 |
138 | 1 | 18 | DG | H2' | H | 2.550 | 0.004 | 1 |
139 | 1 | 18 | DG | H2'' | H | 3.193 | 0.002 | 1 |
140 | 1 | 18 | DG | H3' | H | 4.976 | 1 | |
141 | 1 | 18 | DG | H8 | H | 8.474 | 0.002 | 1 |
142 | 1 | 19 | DG | H1 | H | 11.230 | 0.003 | 1 |
143 | 1 | 19 | DG | H1' | H | 5.789 | 0.004 | 1 |
144 | 1 | 19 | DG | H2' | H | 2.922 | 0.003 | 1 |
145 | 1 | 19 | DG | H2'' | H | 2.736 | 0.004 | 1 |
146 | 1 | 19 | DG | H3' | H | 4.919 | 1 | |
147 | 1 | 19 | DG | H8 | H | 7.181 | 0.003 | 1 |
148 | 1 | 19 | DG | C8 | C | 141.438 | 1 | |
149 | 1 | 20 | DG | H1 | H | 10.826 | 0.003 | 1 |
150 | 1 | 20 | DG | H1' | H | 5.653 | 0.002 | 1 |
151 | 1 | 20 | DG | H2' | H | 2.393 | 0.002 | 1 |
152 | 1 | 20 | DG | H2'' | H | 2.282 | 0.003 | 1 |
153 | 1 | 20 | DG | H3' | H | 4.922 | 0.001 | 1 |
154 | 1 | 20 | DG | H8 | H | 7.179 | 0.003 | 1 |
155 | 1 | 20 | DG | C8 | C | 140.638 | 1 | |
156 | 1 | 21 | DG | H1 | H | 11.167 | 0.002 | 1 |
157 | 1 | 21 | DG | H1' | H | 5.881 | 0.002 | 1 |
158 | 1 | 21 | DG | H2' | H | 2.634 | 0.005 | 1 |
159 | 1 | 21 | DG | H2'' | H | 2.492 | 0.004 | 1 |
160 | 1 | 21 | DG | H3' | H | 5.086 | 0.003 | 1 |
161 | 1 | 21 | DG | H8 | H | 7.835 | 0.002 | 1 |
162 | 1 | 21 | DG | C8 | C | 138.050 | 1 | |
163 | 1 | 22 | DT | H1' | H | 6.253 | 0.002 | 1 |
164 | 1 | 22 | DT | H2' | H | 2.266 | 0.004 | 1 |
165 | 1 | 22 | DT | H2'' | H | 2.466 | 0.004 | 1 |
166 | 1 | 22 | DT | H3' | H | 4.839 | 0.001 | 1 |
167 | 1 | 22 | DT | H6 | H | 7.821 | 0.002 | 1 |
168 | 1 | 22 | DT | H71 | H | 1.948 | 0.006 | 1 |
169 | 1 | 22 | DT | H72 | H | 1.948 | 0.006 | 1 |
170 | 1 | 22 | DT | H73 | H | 1.948 | 0.006 | 1 |
171 | 1 | 22 | DT | C6 | C | 140.024 | 1 | |
172 | 1 | 23 | DT | H1' | H | 5.735 | 0.002 | 1 |
173 | 1 | 23 | DT | H2' | H | 1.165 | 0.003 | 1 |
174 | 1 | 23 | DT | H2'' | H | 1.771 | 0.003 | 1 |
175 | 1 | 23 | DT | H3' | H | 4.588 | 0.0 | 1 |
176 | 1 | 23 | DT | H6 | H | 7.175 | 0.002 | 1 |
177 | 1 | 23 | DT | H71 | H | 1.547 | 0.003 | 1 |
178 | 1 | 23 | DT | H72 | H | 1.547 | 0.003 | 1 |
179 | 1 | 23 | DT | H73 | H | 1.547 | 0.003 | 1 |
180 | 1 | 23 | DT | C6 | C | 138.620 | 1 | |
181 | 1 | 24 | DA | H1' | H | 5.771 | 0.003 | 1 |
182 | 1 | 24 | DA | H2 | H | 7.505 | 0.003 | 1 |
183 | 1 | 24 | DA | H2' | H | 2.673 | 0.003 | 1 |
184 | 1 | 24 | DA | H2'' | H | 2.681 | 0.004 | 1 |
185 | 1 | 24 | DA | H3' | H | 4.916 | 0.002 | 1 |
186 | 1 | 24 | DA | H8 | H | 7.845 | 0.003 | 1 |
187 | 1 | 24 | DA | C2 | C | 155.318 | 0.006 | 1 |
188 | 1 | 24 | DA | C8 | C | 141.134 | 1 | |
189 | 1 | 25 | DG | H1 | H | 11.038 | 0.003 | 1 |
190 | 1 | 25 | DG | H1' | H | 6.013 | 0.003 | 1 |
191 | 1 | 25 | DG | H2' | H | 3.298 | 0.005 | 1 |
192 | 1 | 25 | DG | H2'' | H | 2.899 | 0.002 | 1 |
193 | 1 | 25 | DG | H3' | H | 4.875 | 0.001 | 1 |
194 | 1 | 25 | DG | H8 | H | 7.340 | 0.003 | 1 |
195 | 1 | 25 | DG | C8 | C | 142.159 | 1 | |
196 | 1 | 26 | DG | H1 | H | 11.584 | 0.003 | 1 |
197 | 1 | 26 | DG | H1' | H | 5.813 | 0.003 | 1 |
198 | 1 | 26 | DG | H2' | H | 2.515 | 0.003 | 1 |
199 | 1 | 26 | DG | H2'' | H | 2.728 | 0.002 | 1 |
200 | 1 | 26 | DG | H3' | H | 5.042 | 0.002 | 1 |
201 | 1 | 26 | DG | H8 | H | 7.861 | 0.003 | 1 |
202 | 1 | 26 | DG | C8 | C | 138.579 | 1 | |
203 | 1 | 27 | DG | H1 | H | 11.000 | 0.003 | 1 |
204 | 1 | 27 | DG | H1' | H | 6.107 | 0.002 | 1 |
205 | 1 | 27 | DG | H2' | H | 2.720 | 0.004 | 1 |
206 | 1 | 27 | DG | H2'' | H | 2.491 | 0.003 | 1 |
207 | 1 | 27 | DG | H3' | H | 4.928 | 0.001 | 1 |
208 | 1 | 27 | DG | H8 | H | 7.825 | 0.002 | 1 |
209 | 1 | 27 | DG | C8 | C | 137.786 | 1 | |
210 | 1 | 28 | DT | H1' | H | 6.442 | 0.002 | 1 |
211 | 1 | 28 | DT | H2' | H | 2.342 | 0.002 | 1 |
212 | 1 | 28 | DT | H2'' | H | 2.582 | 0.002 | 1 |
213 | 1 | 28 | DT | H3' | H | 4.947 | 0.001 | 1 |
214 | 1 | 28 | DT | H6 | H | 7.654 | 0.002 | 1 |
215 | 1 | 28 | DT | H71 | H | 1.704 | 0.003 | 1 |
216 | 1 | 28 | DT | H72 | H | 1.704 | 0.003 | 1 |
217 | 1 | 28 | DT | H73 | H | 1.704 | 0.003 | 1 |
218 | 1 | 28 | DT | C6 | C | 140.243 | 1 | |
219 | 1 | 29 | DT | H1' | H | 6.439 | 0.002 | 1 |
220 | 1 | 29 | DT | H2' | H | 2.231 | 0.004 | 1 |
221 | 1 | 29 | DT | H2'' | H | 2.438 | 0.004 | 1 |
222 | 1 | 29 | DT | H3' | H | 4.802 | 1 | |
223 | 1 | 29 | DT | H6 | H | 7.806 | 0.004 | 1 |
224 | 1 | 29 | DT | H71 | H | 2.009 | 0.001 | 1 |
225 | 1 | 29 | DT | H72 | H | 2.009 | 0.001 | 1 |
226 | 1 | 29 | DT | H73 | H | 2.009 | 0.001 | 1 |
227 | 1 | 29 | DT | C6 | C | 139.420 | 1 | |
228 | 1 | 30 | A1H3G | H1 | H | 14.309 | 1 | |
229 | 1 | 30 | A1H3G | H1' | H | 5.400 | 0.003 | 1 |
230 | 1 | 30 | A1H3G | H2 | H | 7.126 | 0.002 | 1 |
231 | 1 | 30 | A1H3G | H2' | H | 2.044 | 0.003 | 1 |
232 | 1 | 30 | A1H3G | H2'' | H | 2.432 | 0.003 | 1 |
233 | 1 | 30 | A1H3G | H3' | H | 4.790 | 0.001 | 1 |
234 | 1 | 30 | A1H3G | H8 | H | 8.023 | 0.004 | 1 |
235 | 1 | 30 | A1H3G | C2 | C | 145.814 | 1 | |
236 | 1 | 30 | A1H3G | C8 | C | 143.577 | 1 | |
237 | 1 | 31 | DG | H1 | H | 10.924 | 0.002 | 1 |
238 | 1 | 31 | DG | H1' | H | 6.197 | 0.004 | 1 |
239 | 1 | 31 | DG | H2' | H | 3.688 | 0.007 | 1 |
240 | 1 | 31 | DG | H2'' | H | 3.166 | 0.004 | 1 |
241 | 1 | 31 | DG | H3' | H | 4.946 | 0.001 | 1 |
242 | 1 | 31 | DG | H8 | H | 7.264 | 0.003 | 1 |
243 | 1 | 31 | DG | C8 | C | 141.985 | 1 | |
244 | 1 | 32 | BGM | H1 | H | 11.365 | 0.001 | 1 |
245 | 1 | 32 | BGM | H1' | H | 6.033 | 0.003 | 1 |
246 | 1 | 32 | BGM | H2' | H | 2.441 | 0.003 | 1 |
247 | 1 | 32 | BGM | H2'' | H | 2.686 | 0.001 | 1 |
248 | 1 | 32 | BGM | H3' | H | 5.074 | 0.003 | 1 |
249 | 1 | 33 | DG | H1 | H | 11.689 | 0.003 | 1 |
250 | 1 | 33 | DG | H1' | H | 6.175 | 0.002 | 1 |
251 | 1 | 33 | DG | H2' | H | 2.608 | 0.003 | 1 |
252 | 1 | 33 | DG | H2'' | H | 2.314 | 0.002 | 1 |
253 | 1 | 33 | DG | H3' | H | 4.692 | 0.001 | 1 |
254 | 1 | 33 | DG | H8 | H | 8.056 | 0.002 | 1 |
255 | 1 | 33 | DG | C8 | C | 139.163 | 1 |