Three-layered parallel G-quadruplex with snapback loop from a G-rich sequence with five G-runs
ID | Entity ID | Seq ID | Comp ID | Atom ID | Atom type | Val | Val err | Ambig. code |
---|---|---|---|---|---|---|---|---|
1 | 1 | 1 | DA | H1' | H | 5.898 | 0.004 | 1 |
2 | 1 | 1 | DA | H2 | H | 7.784 | 0.005 | 1 |
3 | 1 | 1 | DA | H2' | H | 2.507 | 0.002 | 1 |
4 | 1 | 1 | DA | H2'' | H | 2.622 | 0.003 | 1 |
5 | 1 | 1 | DA | H3' | H | 4.804 | 0.003 | 1 |
6 | 1 | 1 | DA | H8 | H | 7.817 | 0.003 | 1 |
7 | 1 | 1 | DA | C2 | C | 154.373 | 1 | |
8 | 1 | 1 | DA | C8 | C | 142.508 | 1 | |
9 | 1 | 2 | DG | H1 | H | 11.597 | 0.002 | 1 |
10 | 1 | 2 | DG | H1' | H | 5.988 | 0.003 | 1 |
11 | 1 | 2 | DG | H2' | H | 2.674 | 0.004 | 1 |
12 | 1 | 2 | DG | H2'' | H | 2.877 | 0.002 | 1 |
13 | 1 | 2 | DG | H3' | H | 4.992 | 0.001 | 1 |
14 | 1 | 2 | DG | H8 | H | 7.907 | 0.004 | 1 |
15 | 1 | 2 | DG | C5 | C | 117.212 | 0.005 | 1 |
16 | 1 | 2 | DG | C8 | C | 138.179 | 1 | |
17 | 1 | 3 | DG | H1 | H | 11.428 | 0.002 | 1 |
18 | 1 | 3 | DG | H1' | H | 6.111 | 0.003 | 1 |
19 | 1 | 3 | DG | H2' | H | 2.596 | 0.003 | 1 |
20 | 1 | 3 | DG | H2'' | H | 2.845 | 0.005 | 1 |
21 | 1 | 3 | DG | H3' | H | 4.998 | 0.003 | 1 |
22 | 1 | 3 | DG | H8 | H | 7.664 | 0.003 | 1 |
23 | 1 | 3 | DG | C5 | C | 116.793 | 0.004 | 1 |
24 | 1 | 3 | DG | C8 | C | 137.374 | 1 | |
25 | 1 | 4 | DG | H1 | H | 11.166 | 0.003 | 1 |
26 | 1 | 4 | DG | H1' | H | 6.379 | 0.004 | 1 |
27 | 1 | 4 | DG | H2' | H | 2.767 | 0.001 | 1 |
28 | 1 | 4 | DG | H2'' | H | 2.575 | 0.004 | 1 |
29 | 1 | 4 | DG | H3' | H | 5.042 | 0.001 | 1 |
30 | 1 | 4 | DG | H8 | H | 7.834 | 0.003 | 1 |
31 | 1 | 4 | DG | C5 | C | 117.587 | 0.001 | 1 |
32 | 1 | 4 | DG | C8 | C | 137.597 | 1 | |
33 | 1 | 5 | DT | H1' | H | 6.234 | 0.003 | 1 |
34 | 1 | 5 | DT | H2' | H | 2.225 | 0.003 | 1 |
35 | 1 | 5 | DT | H2'' | H | 2.453 | 0.003 | 1 |
36 | 1 | 5 | DT | H3' | H | 3.937 | 1 | |
37 | 1 | 5 | DT | H6 | H | 7.650 | 0.004 | 1 |
38 | 1 | 5 | DT | H71 | H | 1.937 | 1 | |
39 | 1 | 5 | DT | H72 | H | 1.937 | 1 | |
40 | 1 | 5 | DT | H73 | H | 1.937 | 1 | |
41 | 1 | 5 | DT | C6 | C | 140.080 | 1 | |
42 | 1 | 6 | DA | H1' | H | 6.667 | 0.004 | 1 |
43 | 1 | 6 | DA | H2 | H | 8.368 | 0.004 | 1 |
44 | 1 | 6 | DA | H2' | H | 3.052 | 0.002 | 1 |
45 | 1 | 6 | DA | H2'' | H | 2.936 | 0.007 | 1 |
46 | 1 | 6 | DA | H3' | H | 5.159 | 0.002 | 1 |
47 | 1 | 6 | DA | H8 | H | 8.544 | 0.004 | 1 |
48 | 1 | 6 | DA | C2 | C | 155.340 | 1 | |
49 | 1 | 6 | DA | C8 | C | 143.424 | 1 | |
50 | 1 | 7 | DG | H1 | H | 11.912 | 0.004 | 1 |
51 | 1 | 7 | DG | H1' | H | 6.156 | 0.005 | 1 |
52 | 1 | 7 | DG | H2' | H | 2.622 | 0.004 | 1 |
53 | 1 | 7 | DG | H2'' | H | 2.966 | 0.003 | 1 |
54 | 1 | 7 | DG | H3' | H | 5.006 | 0.002 | 1 |
55 | 1 | 7 | DG | H8 | H | 8.102 | 0.003 | 1 |
56 | 1 | 7 | DG | C5 | C | 117.822 | 1 | |
57 | 1 | 7 | DG | C8 | C | 138.403 | 1 | |
58 | 1 | 8 | DG | H1 | H | 11.454 | 0.002 | 1 |
59 | 1 | 8 | DG | H1' | H | 6.200 | 0.003 | 1 |
60 | 1 | 8 | DG | H2' | H | 2.685 | 0.003 | 1 |
61 | 1 | 8 | DG | H2'' | H | 2.972 | 0.003 | 1 |
62 | 1 | 8 | DG | H3' | H | 5.015 | 0.0 | 1 |
63 | 1 | 8 | DG | H8 | H | 7.781 | 0.003 | 1 |
64 | 1 | 8 | DG | C5 | C | 117.008 | 0.012 | 1 |
65 | 1 | 8 | DG | C8 | C | 137.787 | 1 | |
66 | 1 | 9 | DG | H1 | H | 10.518 | 0.003 | 1 |
67 | 1 | 9 | DG | H1' | H | 6.394 | 0.003 | 1 |
68 | 1 | 9 | DG | H2' | H | 2.707 | 0.004 | 1 |
69 | 1 | 9 | DG | H2'' | H | 2.608 | 0.004 | 1 |
70 | 1 | 9 | DG | H3' | H | 5.118 | 0.0 | 1 |
71 | 1 | 9 | DG | H8 | H | 7.774 | 0.004 | 1 |
72 | 1 | 9 | DG | C5 | C | 116.961 | 1 | |
73 | 1 | 9 | DG | C8 | C | 137.527 | 1 | |
74 | 1 | 10 | DC | H1' | H | 6.446 | 0.004 | 1 |
75 | 1 | 10 | DC | H2' | H | 2.417 | 0.004 | 1 |
76 | 1 | 10 | DC | H2'' | H | 2.744 | 0.003 | 1 |
77 | 1 | 10 | DC | H3' | H | 5.049 | 0.002 | 1 |
78 | 1 | 10 | DC | H5 | H | 6.180 | 1 | |
79 | 1 | 10 | DC | H6 | H | 8.015 | 0.004 | 1 |
80 | 1 | 10 | DC | C6 | C | 144.306 | 1 | |
81 | 1 | 11 | DG | H1 | H | 11.747 | 0.003 | 1 |
82 | 1 | 11 | DG | H1' | H | 6.173 | 0.002 | 1 |
83 | 1 | 11 | DG | H2' | H | 2.406 | 0.003 | 1 |
84 | 1 | 11 | DG | H2'' | H | 2.919 | 0.002 | 1 |
85 | 1 | 11 | DG | H3' | H | 5.131 | 0.001 | 1 |
86 | 1 | 11 | DG | H8 | H | 8.010 | 0.005 | 1 |
87 | 1 | 11 | DG | C5 | C | 117.382 | 0.006 | 1 |
88 | 1 | 11 | DG | C8 | C | 138.201 | 1 | |
89 | 1 | 12 | DG | H1 | H | 11.283 | 0.003 | 1 |
90 | 1 | 12 | DG | H1' | H | 6.252 | 0.003 | 1 |
91 | 1 | 12 | DG | H2' | H | 2.902 | 0.003 | 1 |
92 | 1 | 12 | DG | H2'' | H | 2.738 | 0.001 | 1 |
93 | 1 | 12 | DG | H3' | H | 5.142 | 0.002 | 1 |
94 | 1 | 12 | DG | H8 | H | 7.874 | 0.003 | 1 |
95 | 1 | 12 | DG | C5 | C | 117.273 | 0.008 | 1 |
96 | 1 | 12 | DG | C8 | C | 137.890 | 1 | |
97 | 1 | 13 | DC | H1' | H | 6.325 | 0.003 | 1 |
98 | 1 | 13 | DC | H2' | H | 2.282 | 0.002 | 1 |
99 | 1 | 13 | DC | H2'' | H | 2.724 | 0.001 | 1 |
100 | 1 | 13 | DC | H3' | H | 5.076 | 0.003 | 1 |
101 | 1 | 13 | DC | H5 | H | 6.171 | 1 | |
102 | 1 | 13 | DC | H6 | H | 8.034 | 0.004 | 1 |
103 | 1 | 13 | DC | C6 | C | 144.542 | 1 | |
104 | 1 | 14 | DG | H1 | H | 11.439 | 0.004 | 1 |
105 | 1 | 14 | DG | H1' | H | 6.085 | 0.002 | 1 |
106 | 1 | 14 | DG | H2' | H | 2.576 | 0.004 | 1 |
107 | 1 | 14 | DG | H2'' | H | 2.869 | 0.005 | 1 |
108 | 1 | 14 | DG | H3' | H | 4.899 | 0.001 | 1 |
109 | 1 | 14 | DG | H8 | H | 8.260 | 0.005 | 1 |
110 | 1 | 14 | DG | C5 | C | 118.530 | 0.006 | 1 |
111 | 1 | 14 | DG | C8 | C | 138.675 | 1 | |
112 | 1 | 15 | DG | H1 | H | 11.198 | 0.004 | 1 |
113 | 1 | 15 | DG | H1' | H | 6.021 | 0.004 | 1 |
114 | 1 | 15 | DG | H2' | H | 2.640 | 0.003 | 1 |
115 | 1 | 15 | DG | H2'' | H | 2.848 | 0.003 | 1 |
116 | 1 | 15 | DG | H3' | H | 5.031 | 0.002 | 1 |
117 | 1 | 15 | DG | H8 | H | 7.866 | 0.003 | 1 |
118 | 1 | 15 | DG | C5 | C | 116.532 | 0.003 | 1 |
119 | 1 | 15 | DG | C8 | C | 137.938 | 1 | |
120 | 1 | 16 | DG | H1 | H | 11.054 | 0.002 | 1 |
121 | 1 | 16 | DG | H1' | H | 5.835 | 0.004 | 1 |
122 | 1 | 16 | DG | H2' | H | 2.352 | 0.002 | 1 |
123 | 1 | 16 | DG | H2'' | H | 2.699 | 0.002 | 1 |
124 | 1 | 16 | DG | H3' | H | 4.949 | 0.002 | 1 |
125 | 1 | 16 | DG | H8 | H | 7.407 | 0.003 | 1 |
126 | 1 | 16 | DG | C5 | C | 117.130 | 0.012 | 1 |
127 | 1 | 16 | DG | C8 | C | 136.747 | 1 | |
128 | 1 | 17 | DG | H1 | H | 12.689 | 0.005 | 1 |
129 | 1 | 17 | DG | H1' | H | 5.532 | 0.005 | 1 |
130 | 1 | 17 | DG | H2' | H | 1.963 | 0.003 | 1 |
131 | 1 | 17 | DG | H2'' | H | 2.238 | 0.001 | 1 |
132 | 1 | 17 | DG | H3' | H | 4.839 | 0.002 | 1 |
133 | 1 | 17 | DG | H8 | H | 7.327 | 0.002 | 1 |
134 | 1 | 17 | DG | C5 | C | 117.511 | 1 | |
135 | 1 | 17 | DG | C8 | C | 136.581 | 1 | |
136 | 1 | 18 | DA | H1' | H | 5.979 | 0.003 | 1 |
137 | 1 | 18 | DA | H2 | H | 7.360 | 0.004 | 1 |
138 | 1 | 18 | DA | H2' | H | 2.713 | 0.006 | 1 |
139 | 1 | 18 | DA | H2'' | H | 2.437 | 0.003 | 1 |
140 | 1 | 18 | DA | H3' | H | 4.897 | 0.002 | 1 |
141 | 1 | 18 | DA | H8 | H | 8.281 | 0.002 | 1 |
142 | 1 | 18 | DA | C2 | C | 152.603 | 1 | |
143 | 1 | 18 | DA | C8 | C | 142.165 | 1 | |
144 | 1 | 19 | DC | H1' | H | 5.796 | 0.005 | 1 |
145 | 1 | 19 | DC | H2' | H | 1.304 | 0.003 | 1 |
146 | 1 | 19 | DC | H2'' | H | 1.741 | 0.005 | 1 |
147 | 1 | 19 | DC | H3' | H | 4.462 | 1 | |
148 | 1 | 19 | DC | H5 | H | 5.978 | 0.001 | 1 |
149 | 1 | 19 | DC | H6 | H | 7.510 | 0.004 | 1 |
150 | 1 | 19 | DC | C6 | C | 143.645 | 1 | |
151 | 1 | 20 | DG | H1' | H | 5.544 | 0.003 | 1 |
152 | 1 | 20 | DG | H2' | H | 2.313 | 0.003 | 1 |
153 | 1 | 20 | DG | H2'' | H | 1.977 | 0.002 | 1 |
154 | 1 | 20 | DG | H3' | H | 4.190 | 0.003 | 1 |
155 | 1 | 20 | DG | H4' | H | 3.815 | 0.003 | 1 |
156 | 1 | 20 | DG | H5' | H | 3.016 | 0.003 | 2 |
157 | 1 | 20 | DG | H5'' | H | 3.503 | 0.002 | 2 |
158 | 1 | 20 | DG | H8 | H | 7.207 | 0.003 | 1 |
159 | 1 | 20 | DG | C5 | C | 119.096 | 1 | |
160 | 1 | 20 | DG | C8 | C | 142.268 | 1 | |
161 | 1 | 21 | DG | H1' | H | 5.568 | 0.003 | 1 |
162 | 1 | 21 | DG | H2' | H | 2.180 | 0.005 | 1 |
163 | 1 | 21 | DG | H2'' | H | 0.612 | 0.005 | 1 |
164 | 1 | 21 | DG | H3' | H | 4.547 | 0.001 | 1 |
165 | 1 | 21 | DG | H4' | H | 4.136 | 0.002 | 1 |
166 | 1 | 21 | DG | H8 | H | 7.506 | 0.003 | 1 |
167 | 1 | 21 | DG | C5 | C | 117.960 | 1 | |
168 | 1 | 21 | DG | C8 | C | 137.592 | 1 | |
169 | 1 | 22 | DG | H1 | H | 11.335 | 0.003 | 1 |
170 | 1 | 22 | DG | H1' | H | 6.515 | 0.003 | 1 |
171 | 1 | 22 | DG | H2' | H | 2.245 | 0.003 | 1 |
172 | 1 | 22 | DG | H2'' | H | 3.009 | 0.002 | 1 |
173 | 1 | 22 | DG | H3' | H | 5.005 | 0.002 | 1 |
174 | 1 | 22 | DG | H4' | H | 4.787 | 0.002 | 1 |
175 | 1 | 22 | DG | H8 | H | 7.531 | 0.003 | 1 |
176 | 1 | 22 | DG | C5 | C | 117.873 | 0.006 | 1 |
177 | 1 | 22 | DG | C8 | C | 137.072 | 1 | |
178 | 1 | 23 | DT | H1' | H | 6.322 | 0.004 | 1 |
179 | 1 | 23 | DT | H2' | H | 2.360 | 0.003 | 1 |
180 | 1 | 23 | DT | H2'' | H | 2.360 | 0.008 | 1 |
181 | 1 | 23 | DT | H3' | H | 4.626 | 1 | |
182 | 1 | 23 | DT | H6 | H | 7.747 | 0.003 | 1 |
183 | 1 | 23 | DT | H71 | H | 1.926 | 0.005 | 1 |
184 | 1 | 23 | DT | H72 | H | 1.926 | 0.005 | 1 |
185 | 1 | 23 | DT | H73 | H | 1.926 | 0.005 | 1 |
186 | 1 | 23 | DT | C6 | C | 140.136 | 1 |