(3+1) hybrid G-quadruplex 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 | 6.124 | 0.0 | 1 |
2 | 1 | 1 | DA | H2 | H | 7.743 | 0.002 | 1 |
3 | 1 | 1 | DA | H2' | H | 2.560 | 0.0 | 1 |
4 | 1 | 1 | DA | H2'' | H | 2.479 | 0.001 | 1 |
5 | 1 | 1 | DA | H3' | H | 4.761 | 0.001 | 1 |
6 | 1 | 1 | DA | H4' | H | 4.123 | 0.002 | 1 |
7 | 1 | 1 | DA | H5' | H | 3.225 | 0.002 | 1 |
8 | 1 | 1 | DA | H5'' | H | 3.378 | 0.001 | 1 |
9 | 1 | 1 | DA | H8 | H | 7.851 | 0.001 | 1 |
10 | 1 | 1 | DA | C2 | C | 154.103 | 1 | |
11 | 1 | 1 | DA | C8 | C | 143.076 | 1 | |
12 | 1 | 2 | DG | H1 | H | 11.621 | 0.001 | 1 |
13 | 1 | 2 | DG | H1' | H | 6.038 | 0.001 | 1 |
14 | 1 | 2 | DG | H2' | H | 3.472 | 0.001 | 1 |
15 | 1 | 2 | DG | H2'' | H | 3.035 | 0.001 | 1 |
16 | 1 | 2 | DG | H3' | H | 4.867 | 0.001 | 1 |
17 | 1 | 2 | DG | H8 | H | 7.489 | 0.001 | 1 |
18 | 1 | 2 | DG | C8 | C | 142.679 | 1 | |
19 | 1 | 3 | DG | H1 | H | 11.672 | 0.001 | 1 |
20 | 1 | 3 | DG | H1' | H | 5.994 | 0.001 | 1 |
21 | 1 | 3 | DG | H2' | H | 2.484 | 0.001 | 1 |
22 | 1 | 3 | DG | H2'' | H | 2.848 | 0.001 | 1 |
23 | 1 | 3 | DG | H3' | H | 5.031 | 0.0 | 1 |
24 | 1 | 3 | DG | H8 | H | 7.931 | 0.001 | 1 |
25 | 1 | 3 | DG | C8 | C | 137.962 | 1 | |
26 | 1 | 4 | DG | H1 | H | 10.976 | 0.002 | 1 |
27 | 1 | 4 | DG | H1' | H | 6.469 | 0.002 | 1 |
28 | 1 | 4 | DG | H2' | H | 2.599 | 0.0 | 1 |
29 | 1 | 4 | DG | H2'' | H | 2.631 | 0.002 | 1 |
30 | 1 | 4 | DG | H3' | H | 5.060 | 0.001 | 1 |
31 | 1 | 4 | DG | H8 | H | 7.759 | 0.002 | 1 |
32 | 1 | 4 | DG | C8 | C | 137.971 | 1 | |
33 | 1 | 5 | DT | H1' | H | 6.182 | 0.002 | 1 |
34 | 1 | 5 | DT | H2' | H | 2.161 | 0.001 | 1 |
35 | 1 | 5 | DT | H2'' | H | 2.422 | 0.0 | 1 |
36 | 1 | 5 | DT | H3' | H | 4.681 | 0.003 | 1 |
37 | 1 | 5 | DT | H6 | H | 7.577 | 0.0 | 1 |
38 | 1 | 5 | DT | H71 | H | 1.914 | 0.001 | 1 |
39 | 1 | 5 | DT | H72 | H | 1.914 | 0.001 | 1 |
40 | 1 | 5 | DT | H73 | H | 1.914 | 0.001 | 1 |
41 | 1 | 5 | DT | C6 | C | 139.977 | 1 | |
42 | 1 | 6 | DA | H1' | H | 6.688 | 0.002 | 1 |
43 | 1 | 6 | DA | H2 | H | 8.332 | 0.002 | 1 |
44 | 1 | 6 | DA | H2' | H | 3.057 | 0.001 | 1 |
45 | 1 | 6 | DA | H2'' | H | 2.923 | 0.001 | 1 |
46 | 1 | 6 | DA | H3' | H | 5.265 | 0.002 | 1 |
47 | 1 | 6 | DA | H8 | H | 8.506 | 0.001 | 1 |
48 | 1 | 6 | DA | C2 | C | 155.305 | 1 | |
49 | 1 | 6 | DA | C8 | C | 143.444 | 1 | |
50 | 1 | 7 | DG | H1 | H | 11.556 | 0.002 | 1 |
51 | 1 | 7 | DG | H1' | H | 5.969 | 0.001 | 1 |
52 | 1 | 7 | DG | H2' | H | 3.047 | 0.001 | 1 |
53 | 1 | 7 | DG | H2'' | H | 2.966 | 0.001 | 1 |
54 | 1 | 7 | DG | H3' | H | 4.973 | 0.003 | 1 |
55 | 1 | 7 | DG | H8 | H | 7.251 | 0.001 | 1 |
56 | 1 | 7 | DG | C8 | C | 141.778 | 1 | |
57 | 1 | 8 | DG | H1 | H | 11.599 | 0.001 | 1 |
58 | 1 | 8 | DG | H1' | H | 5.722 | 0.001 | 1 |
59 | 1 | 8 | DG | H2' | H | 2.581 | 0.001 | 1 |
60 | 1 | 8 | DG | H2'' | H | 2.478 | 0.001 | 1 |
61 | 1 | 8 | DG | H3' | H | 5.017 | 0.001 | 1 |
62 | 1 | 8 | DG | H8 | H | 7.979 | 0.002 | 1 |
63 | 1 | 8 | DG | C8 | C | 138.851 | 1 | |
64 | 1 | 9 | DG | H1 | H | 11.151 | 0.002 | 1 |
65 | 1 | 9 | DG | H1' | H | 6.125 | 0.0 | 1 |
66 | 1 | 9 | DG | H2' | H | 2.436 | 0.0 | 1 |
67 | 1 | 9 | DG | H2'' | H | 2.782 | 0.001 | 1 |
68 | 1 | 9 | DG | H3' | H | 4.881 | 0.001 | 1 |
69 | 1 | 9 | DG | H8 | H | 7.585 | 0.001 | 1 |
70 | 1 | 9 | DG | C8 | C | 136.996 | 1 | |
71 | 1 | 10 | DC | H1' | H | 5.563 | 0.001 | 1 |
72 | 1 | 10 | DC | H2' | H | 1.173 | 0.0 | 1 |
73 | 1 | 10 | DC | H2'' | H | 1.921 | 0.001 | 1 |
74 | 1 | 10 | DC | H3' | H | 4.493 | 0.002 | 1 |
75 | 1 | 10 | DC | H5 | H | 5.730 | 1 | |
76 | 1 | 10 | DC | H6 | H | 7.224 | 0.001 | 1 |
77 | 1 | 10 | DC | C6 | C | 143.099 | 1 | |
78 | 1 | 11 | DG | H1' | H | 5.726 | 0.001 | 1 |
79 | 1 | 11 | DG | H2' | H | 2.094 | 0.002 | 1 |
80 | 1 | 11 | DG | H2'' | H | 2.428 | 0.001 | 1 |
81 | 1 | 11 | DG | H3' | H | 4.479 | 0.001 | 1 |
82 | 1 | 11 | DG | H8 | H | 7.735 | 0.001 | 1 |
83 | 1 | 11 | DG | C8 | C | 139.538 | 1 | |
84 | 1 | 12 | DG | H1' | H | 5.715 | 0.0 | 1 |
85 | 1 | 12 | DG | H2' | H | 2.098 | 1 | |
86 | 1 | 12 | DG | H2'' | H | 2.439 | 0.001 | 1 |
87 | 1 | 12 | DG | H3' | H | 4.476 | 0.001 | 1 |
88 | 1 | 12 | DG | H8 | H | 7.731 | 0.001 | 1 |
89 | 1 | 12 | DG | C8 | C | 139.687 | 1 | |
90 | 1 | 13 | DC | H1' | H | 5.506 | 0.001 | 1 |
91 | 1 | 13 | DC | H2' | H | 1.826 | 0.001 | 1 |
92 | 1 | 13 | DC | H2'' | H | 2.197 | 0.001 | 1 |
93 | 1 | 13 | DC | H3' | H | 4.380 | 0.002 | 1 |
94 | 1 | 13 | DC | H5 | H | 5.492 | 1 | |
95 | 1 | 13 | DC | H6 | H | 7.489 | 0.001 | 1 |
96 | 1 | 13 | DC | C6 | C | 144.693 | 1 | |
97 | 1 | 14 | DG | H1 | H | 11.385 | 0.001 | 1 |
98 | 1 | 14 | DG | H1' | H | 6.051 | 0.0 | 1 |
99 | 1 | 14 | DG | H2' | H | 3.662 | 0.0 | 1 |
100 | 1 | 14 | DG | H2'' | H | 3.146 | 0.001 | 1 |
101 | 1 | 14 | DG | H3' | H | 4.844 | 0.001 | 1 |
102 | 1 | 14 | DG | H8 | H | 7.373 | 0.001 | 1 |
103 | 1 | 14 | DG | C8 | C | 141.943 | 1 | |
104 | 1 | 15 | BGM | H1 | H | 11.267 | 0.001 | 1 |
105 | 1 | 15 | BGM | H1' | H | 5.784 | 1 | |
106 | 1 | 15 | BGM | H2' | H | 2.638 | 0.001 | 1 |
107 | 1 | 15 | BGM | H2'' | H | 2.560 | 1 | |
108 | 1 | 15 | BGM | H3' | H | 4.962 | 1 | |
109 | 1 | 16 | DG | H1 | H | 11.495 | 0.002 | 1 |
110 | 1 | 16 | DG | H1' | H | 5.460 | 0.001 | 1 |
111 | 1 | 16 | DG | H2' | H | 2.102 | 0.001 | 1 |
112 | 1 | 16 | DG | H2'' | H | 2.203 | 0.002 | 1 |
113 | 1 | 16 | DG | H3' | H | 4.961 | 0.002 | 1 |
114 | 1 | 16 | DG | H8 | H | 7.281 | 0.002 | 1 |
115 | 1 | 16 | DG | C8 | C | 137.523 | 1 | |
116 | 1 | 17 | DT | H1' | H | 6.311 | 0.002 | 1 |
117 | 1 | 17 | DT | H2' | H | 1.966 | 0.001 | 1 |
118 | 1 | 17 | DT | H2'' | H | 2.462 | 0.001 | 1 |
119 | 1 | 17 | DT | H3' | H | 4.827 | 0.001 | 1 |
120 | 1 | 17 | DT | H6 | H | 7.935 | 0.001 | 1 |
121 | 1 | 17 | DT | H71 | H | 1.932 | 1 | |
122 | 1 | 17 | DT | H72 | H | 1.932 | 1 | |
123 | 1 | 17 | DT | H73 | H | 1.932 | 1 | |
124 | 1 | 17 | DT | C6 | C | 139.927 | 1 | |
125 | 1 | 18 | DA | H1' | H | 5.851 | 0.001 | 1 |
126 | 1 | 18 | DA | H2 | H | 7.616 | 0.001 | 1 |
127 | 1 | 18 | DA | H2' | H | 2.367 | 0.001 | 1 |
128 | 1 | 18 | DA | H2'' | H | 2.431 | 0.001 | 1 |
129 | 1 | 18 | DA | H3' | H | 4.773 | 0.001 | 1 |
130 | 1 | 18 | DA | H8 | H | 7.973 | 0.001 | 1 |
131 | 1 | 18 | DA | C2 | C | 154.371 | 1 | |
132 | 1 | 18 | DA | C8 | C | 141.455 | 1 | |
133 | 1 | 19 | DC | H1' | H | 5.713 | 0.0 | 1 |
134 | 1 | 19 | DC | H2' | H | 1.789 | 0.001 | 1 |
135 | 1 | 19 | DC | H2'' | H | 2.405 | 0.001 | 1 |
136 | 1 | 19 | DC | H3' | H | 4.616 | 0.005 | 1 |
137 | 1 | 19 | DC | H5 | H | 5.727 | 0.004 | 1 |
138 | 1 | 19 | DC | H6 | H | 7.497 | 0.002 | 1 |
139 | 1 | 19 | DC | C6 | C | 144.458 | 1 | |
140 | 1 | 20 | DG | H1 | H | 11.764 | 0.002 | 1 |
141 | 1 | 20 | DG | H1' | H | 6.041 | 0.001 | 1 |
142 | 1 | 20 | DG | H2' | H | 3.621 | 0.001 | 1 |
143 | 1 | 20 | DG | H2'' | H | 3.009 | 0.001 | 1 |
144 | 1 | 20 | DG | H3' | H | 4.822 | 0.0 | 1 |
145 | 1 | 20 | DG | H8 | H | 7.522 | 0.001 | 1 |
146 | 1 | 20 | DG | C8 | C | 142.224 | 1 | |
147 | 1 | 21 | DG | H1 | H | 11.504 | 0.001 | 1 |
148 | 1 | 21 | DG | H1' | H | 5.796 | 0.002 | 1 |
149 | 1 | 21 | DG | H2' | H | 2.370 | 0.001 | 1 |
150 | 1 | 21 | DG | H2'' | H | 2.633 | 0.003 | 1 |
151 | 1 | 21 | DG | H3' | H | 5.015 | 0.001 | 1 |
152 | 1 | 21 | DG | H8 | H | 7.843 | 0.001 | 1 |
153 | 1 | 21 | DG | C8 | C | 138.480 | 1 | |
154 | 1 | 22 | DG | H1 | H | 10.948 | 0.001 | 1 |
155 | 1 | 22 | DG | H1' | H | 6.164 | 0.001 | 1 |
156 | 1 | 22 | DG | H2' | H | 2.487 | 0.002 | 1 |
157 | 1 | 22 | DG | H2'' | H | 2.513 | 0.001 | 1 |
158 | 1 | 22 | DG | H3' | H | 5.025 | 0.002 | 1 |
159 | 1 | 22 | DG | H8 | H | 7.521 | 0.002 | 1 |
160 | 1 | 22 | DG | C8 | C | 137.352 | 1 | |
161 | 1 | 23 | DT | H1' | H | 6.240 | 0.0 | 1 |
162 | 1 | 23 | DT | H2' | H | 2.327 | 0.001 | 1 |
163 | 1 | 23 | DT | H2'' | H | 2.349 | 0.001 | 1 |
164 | 1 | 23 | DT | H3' | H | 4.537 | 0.002 | 1 |
165 | 1 | 23 | DT | H6 | H | 7.652 | 0.0 | 1 |
166 | 1 | 23 | DT | H71 | H | 1.927 | 0.001 | 1 |
167 | 1 | 23 | DT | H72 | H | 1.927 | 0.001 | 1 |
168 | 1 | 23 | DT | H73 | H | 1.927 | 0.001 | 1 |
169 | 1 | 23 | DT | C6 | C | 139.946 | 1 |