LNA modified G-quadruplex with flipped G-tract and central tetrad
ID | Entity ID | Seq ID | Comp ID | Atom ID | Atom type | Val | Val err | Ambig. code |
---|---|---|---|---|---|---|---|---|
1 | 1 | 1 | DG | H1 | H | 11.725 | 0.002 | 1 |
2 | 1 | 1 | DG | H1' | H | 6.106 | 0.001 | 1 |
3 | 1 | 1 | DG | H2' | H | 2.671 | 0.005 | 1 |
4 | 1 | 1 | DG | H2'' | H | 3.204 | 0.003 | 1 |
5 | 1 | 1 | DG | H3' | H | 5.018 | 0.003 | 1 |
6 | 1 | 1 | DG | H8 | H | 7.370 | 0.002 | 1 |
7 | 1 | 1 | DG | C8 | C | 141.070 | 1 | |
8 | 1 | 2 | DG | H1 | H | 11.729 | 0.001 | 1 |
9 | 1 | 2 | DG | H1' | H | 5.871 | 0.004 | 1 |
10 | 1 | 2 | DG | H2' | H | 2.504 | 0.002 | 1 |
11 | 1 | 2 | DG | H2'' | H | 2.684 | 0.004 | 1 |
12 | 1 | 2 | DG | H3' | H | 5.122 | 0.0 | 1 |
13 | 1 | 2 | DG | H8 | H | 7.894 | 0.002 | 1 |
14 | 1 | 2 | DG | C8 | C | 138.350 | 1 | |
15 | 1 | 3 | DG | H1 | H | 11.437 | 0.004 | 1 |
16 | 1 | 3 | DG | H1' | H | 6.285 | 0.001 | 1 |
17 | 1 | 3 | DG | H2' | H | 2.837 | 0.003 | 1 |
18 | 1 | 3 | DG | H2'' | H | 2.572 | 0.002 | 1 |
19 | 1 | 3 | DG | H3' | H | 5.009 | 0.004 | 1 |
20 | 1 | 3 | DG | H8 | H | 7.943 | 0.002 | 1 |
21 | 1 | 3 | DG | C8 | C | 137.018 | 1 | |
22 | 1 | 4 | DA | H1' | H | 6.390 | 0.001 | 1 |
23 | 1 | 4 | DA | H2 | H | 7.293 | 0.002 | 1 |
24 | 1 | 4 | DA | H2' | H | 2.673 | 0.004 | 2 |
25 | 1 | 4 | DA | H2'' | H | 2.642 | 0.002 | 2 |
26 | 1 | 4 | DA | H3' | H | 5.028 | 0.003 | 1 |
27 | 1 | 4 | DA | H8 | H | 8.303 | 0.001 | 1 |
28 | 1 | 4 | DA | C2 | C | 154.536 | 1 | |
29 | 1 | 4 | DA | C8 | C | 142.189 | 1 | |
30 | 1 | 5 | DT | H1' | H | 6.001 | 0.005 | 1 |
31 | 1 | 5 | DT | H2' | H | 2.071 | 0.001 | 1 |
32 | 1 | 5 | DT | H2'' | H | 2.598 | 0.001 | 1 |
33 | 1 | 5 | DT | H3' | H | 4.874 | 0.002 | 1 |
34 | 1 | 5 | DT | H6 | H | 7.204 | 0.001 | 1 |
35 | 1 | 5 | DT | H71 | H | 1.114 | 0.002 | 1 |
36 | 1 | 5 | DT | H72 | H | 1.114 | 0.002 | 1 |
37 | 1 | 5 | DT | H73 | H | 1.114 | 0.002 | 1 |
38 | 1 | 5 | DT | C6 | C | 137.918 | 1 | |
39 | 1 | 6 | DG | H1 | H | 11.432 | 0.002 | 1 |
40 | 1 | 6 | DG | H1' | H | 6.138 | 0.002 | 1 |
41 | 1 | 6 | DG | H2' | H | 3.631 | 0.004 | 1 |
42 | 1 | 6 | DG | H2'' | H | 3.179 | 0.005 | 1 |
43 | 1 | 6 | DG | H3' | H | 4.860 | 0.003 | 1 |
44 | 1 | 6 | DG | H8 | H | 7.314 | 0.002 | 1 |
45 | 1 | 6 | DG | C8 | C | 141.614 | 1 | |
46 | 1 | 7 | DG | H1 | H | 11.269 | 0.002 | 1 |
47 | 1 | 7 | DG | H1' | H | 5.755 | 0.004 | 1 |
48 | 1 | 7 | DG | H2' | H | 2.651 | 0.004 | 1 |
49 | 1 | 7 | DG | H2'' | H | 2.476 | 0.001 | 1 |
50 | 1 | 7 | DG | H3' | H | 5.003 | 0.003 | 1 |
51 | 1 | 7 | DG | H8 | H | 7.237 | 0.001 | 1 |
52 | 1 | 7 | DG | C8 | C | 140.380 | 1 | |
53 | 1 | 8 | DG | H1 | H | 11.232 | 0.004 | 1 |
54 | 1 | 8 | DG | H1' | H | 5.804 | 0.002 | 1 |
55 | 1 | 8 | DG | H2' | H | 2.083 | 0.001 | 1 |
56 | 1 | 8 | DG | H2'' | H | 2.375 | 0.001 | 1 |
57 | 1 | 8 | DG | H3' | H | 4.931 | 0.001 | 1 |
58 | 1 | 8 | DG | H8 | H | 7.581 | 0.002 | 1 |
59 | 1 | 8 | DG | C8 | C | 137.690 | 1 | |
60 | 1 | 9 | DA | H1' | H | 5.925 | 0.003 | 1 |
61 | 1 | 9 | DA | H2' | H | 2.675 | 0.004 | 1 |
62 | 1 | 9 | DA | H2'' | H | 2.547 | 0.012 | 1 |
63 | 1 | 9 | DA | H3' | H | 4.943 | 0.002 | 1 |
64 | 1 | 9 | DA | H8 | H | 8.012 | 0.001 | 1 |
65 | 1 | 9 | DA | C8 | C | 141.706 | 1 | |
66 | 1 | 10 | DC | H1' | H | 5.885 | 0.003 | 1 |
67 | 1 | 10 | DC | H2' | H | 1.779 | 0.004 | 1 |
68 | 1 | 10 | DC | H2'' | H | 2.159 | 0.002 | 1 |
69 | 1 | 10 | DC | H3' | H | 4.591 | 0.001 | 1 |
70 | 1 | 10 | DC | H5 | H | 5.890 | 0.0 | 1 |
71 | 1 | 10 | DC | H6 | H | 7.619 | 0.012 | 1 |
72 | 1 | 10 | DC | C6 | C | 143.721 | 1 | |
73 | 1 | 11 | DA | H1' | H | 5.697 | 0.001 | 1 |
74 | 1 | 11 | DA | H2' | H | 2.342 | 0.001 | 1 |
75 | 1 | 11 | DA | H2'' | H | 1.864 | 0.003 | 1 |
76 | 1 | 11 | DA | H3' | H | 4.351 | 0.002 | 1 |
77 | 1 | 11 | DA | H8 | H | 7.838 | 0.001 | 1 |
78 | 1 | 11 | DA | C8 | C | 141.435 | 1 | |
79 | 1 | 12 | DC | H1' | H | 5.581 | 0.002 | 1 |
80 | 1 | 12 | DC | H2' | H | 1.649 | 0.002 | 1 |
81 | 1 | 12 | DC | H2'' | H | 1.976 | 0.002 | 1 |
82 | 1 | 12 | DC | H3' | H | 4.395 | 0.003 | 1 |
83 | 1 | 12 | DC | H5 | H | 5.109 | 0.004 | 1 |
84 | 1 | 12 | DC | H6 | H | 7.047 | 0.001 | 1 |
85 | 1 | 12 | DC | C6 | C | 143.471 | 1 | |
86 | 1 | 13 | DA | H1' | H | 6.191 | 0.001 | 1 |
87 | 1 | 13 | DA | H2 | H | 7.647 | 0.002 | 1 |
88 | 1 | 13 | DA | H2' | H | 2.517 | 0.002 | 1 |
89 | 1 | 13 | DA | H2'' | H | 2.275 | 0.001 | 1 |
90 | 1 | 13 | DA | H3' | H | 4.666 | 0.002 | 1 |
91 | 1 | 13 | DA | H8 | H | 7.923 | 0.002 | 1 |
92 | 1 | 13 | DA | C2 | C | 154.444 | 1 | |
93 | 1 | 13 | DA | C8 | C | 141.647 | 1 | |
94 | 1 | 14 | DG | H1 | H | 11.171 | 0.003 | 1 |
95 | 1 | 14 | DG | H1' | H | 6.003 | 0.004 | 1 |
96 | 1 | 14 | DG | H2' | H | 3.615 | 0.001 | 1 |
97 | 1 | 14 | DG | H2'' | H | 2.865 | 0.001 | 1 |
98 | 1 | 14 | DG | H3' | H | 4.943 | 0.003 | 1 |
99 | 1 | 14 | DG | H8 | H | 7.392 | 0.002 | 1 |
100 | 1 | 14 | DG | C8 | C | 141.283 | 1 | |
101 | 1 | 15 | LCG | H1 | H | 11.773 | 0.002 | 1 |
102 | 1 | 15 | LCG | H1' | H | 5.526 | 0.002 | 1 |
103 | 1 | 15 | LCG | H2' | H | 4.664 | 0.001 | 1 |
104 | 1 | 15 | LCG | H3' | H | 4.342 | 0.002 | 1 |
105 | 1 | 15 | LCG | H8 | H | 7.483 | 0.002 | 1 |
106 | 1 | 15 | LCG | C8 | C | 137.196 | 1 | |
107 | 1 | 16 | DG | H1 | H | 11.508 | 0.005 | 1 |
108 | 1 | 16 | DG | H1' | H | 6.028 | 0.003 | 1 |
109 | 1 | 16 | DG | H2' | H | 1.335 | 0.002 | 1 |
110 | 1 | 16 | DG | H2'' | H | 2.499 | 0.002 | 1 |
111 | 1 | 16 | DG | H3' | H | 4.789 | 0.002 | 1 |
112 | 1 | 16 | DG | H8 | H | 7.405 | 0.002 | 1 |
113 | 1 | 16 | DG | C8 | C | 136.789 | 1 | |
114 | 1 | 17 | DG | H1' | H | 6.033 | 0.001 | 1 |
115 | 1 | 17 | DG | H2' | H | 2.640 | 0.004 | 1 |
116 | 1 | 17 | DG | H2'' | H | 2.385 | 0.001 | 1 |
117 | 1 | 17 | DG | H8 | H | 7.915 | 0.002 | 1 |
118 | 1 | 17 | DG | C8 | C | 138.457 | 1 | |
119 | 1 | 18 | DA | H1' | H | 5.896 | 0.001 | 1 |
120 | 1 | 18 | DA | H2' | H | 2.420 | 0.002 | 1 |
121 | 1 | 18 | DA | H2'' | H | 2.286 | 0.001 | 1 |
122 | 1 | 18 | DA | H8 | H | 8.059 | 0.002 | 1 |
123 | 1 | 18 | DA | C8 | C | 142.307 | 1 | |
124 | 1 | 19 | DC | H2' | H | 1.874 | 2 | |
125 | 1 | 19 | DC | H2'' | H | 2.398 | 0.001 | 2 |
126 | 1 | 19 | DC | H5 | H | 5.775 | 0.0 | 1 |
127 | 1 | 19 | DC | H6 | H | 7.379 | 0.004 | 1 |
128 | 1 | 19 | DC | C6 | C | 143.145 | 1 | |
129 | 1 | 20 | DG | H1 | H | 11.612 | 0.001 | 1 |
130 | 1 | 20 | DG | H1' | H | 6.067 | 0.001 | 1 |
131 | 1 | 20 | DG | H2' | H | 3.198 | 0.002 | 2 |
132 | 1 | 20 | DG | H2'' | H | 3.727 | 0.002 | 2 |
133 | 1 | 20 | DG | H3' | H | 4.824 | 0.001 | 1 |
134 | 1 | 20 | DG | H8 | H | 7.138 | 0.002 | 1 |
135 | 1 | 20 | DG | C8 | C | 141.304 | 1 | |
136 | 1 | 21 | DG | H1 | H | 11.488 | 0.002 | 1 |
137 | 1 | 21 | DG | H1' | H | 5.743 | 0.002 | 1 |
138 | 1 | 21 | DG | H2' | H | 2.506 | 0.005 | 2 |
139 | 1 | 21 | DG | H2'' | H | 2.566 | 0.003 | 2 |
140 | 1 | 21 | DG | H3' | H | 5.039 | 0.004 | 1 |
141 | 1 | 21 | DG | H8 | H | 7.370 | 0.003 | 1 |
142 | 1 | 21 | DG | C8 | C | 140.892 | 1 | |
143 | 1 | 22 | DG | H1 | H | 11.654 | 0.004 | 1 |
144 | 1 | 22 | DG | H1' | H | 5.936 | 0.003 | 1 |
145 | 1 | 22 | DG | H2' | H | 2.472 | 0.002 | 1 |
146 | 1 | 22 | DG | H2'' | H | 2.805 | 0.003 | 1 |
147 | 1 | 22 | DG | H3' | H | 4.730 | 0.001 | 1 |
148 | 1 | 22 | DG | H8 | H | 7.924 | 0.003 | 1 |
149 | 1 | 22 | DG | C8 | C | 138.659 | 1 |