Hybrid-1R G-quadruplex with a +(lpp) loop progression
ID | Entity ID | Seq ID | Comp ID | Atom ID | Atom type | Val | Val err | Ambig. code |
---|---|---|---|---|---|---|---|---|
1 | 1 | 1 | DG | H1' | H | 5.882 | 0.003 | 1 |
2 | 1 | 1 | DG | H2' | H | 2.469 | 0.004 | 1 |
3 | 1 | 1 | DG | H2'' | H | 2.650 | 0.003 | 1 |
4 | 1 | 1 | DG | H3' | H | 4.750 | 0.002 | 1 |
5 | 1 | 1 | DG | H8 | H | 7.860 | 0.003 | 1 |
6 | 1 | 1 | DG | C8 | C | 138.799 | 1 | |
7 | 1 | 2 | DC | H1' | H | 5.534 | 0.003 | 1 |
8 | 1 | 2 | DC | H2' | H | 1.888 | 0.002 | 1 |
9 | 1 | 2 | DC | H2'' | H | 2.216 | 0.004 | 1 |
10 | 1 | 2 | DC | H3' | H | 4.690 | 0.001 | 1 |
11 | 1 | 2 | DC | H5 | H | 5.272 | 0.002 | 1 |
12 | 1 | 2 | DC | H6 | H | 7.234 | 0.004 | 1 |
13 | 1 | 2 | DC | H41 | H | 8.279 | 0.001 | 1 |
14 | 1 | 2 | DC | H42 | H | 6.396 | 0.001 | 1 |
15 | 1 | 2 | DC | C6 | C | 142.939 | 1 | |
16 | 1 | 3 | DG | H1 | H | 12.792 | 0.001 | 1 |
17 | 1 | 3 | DG | H1' | H | 5.857 | 0.003 | 1 |
18 | 1 | 3 | DG | H2' | H | 2.285 | 0.002 | 1 |
19 | 1 | 3 | DG | H2'' | H | 2.492 | 0.001 | 1 |
20 | 1 | 3 | DG | H3' | H | 4.804 | 0.0 | 1 |
21 | 1 | 3 | DG | H8 | H | 7.657 | 0.002 | 1 |
22 | 1 | 3 | DG | C8 | C | 138.407 | 1 | |
23 | 1 | 4 | DT | H1' | H | 5.778 | 0.002 | 1 |
24 | 1 | 4 | DT | H2' | H | 1.896 | 0.002 | 1 |
25 | 1 | 4 | DT | H2'' | H | 2.738 | 0.003 | 1 |
26 | 1 | 4 | DT | H3 | H | 13.392 | 0.001 | 1 |
27 | 1 | 4 | DT | H3' | H | 4.736 | 0.004 | 1 |
28 | 1 | 4 | DT | H6 | H | 6.850 | 0.001 | 1 |
29 | 1 | 4 | DT | H71 | H | 0.974 | 0.002 | 1 |
30 | 1 | 4 | DT | H72 | H | 0.974 | 0.002 | 1 |
31 | 1 | 4 | DT | H73 | H | 0.974 | 0.002 | 1 |
32 | 1 | 4 | DT | C6 | C | 137.756 | 1 | |
33 | 1 | 5 | DG | H1 | H | 10.941 | 0.002 | 1 |
34 | 1 | 5 | DG | H1' | H | 5.915 | 0.002 | 1 |
35 | 1 | 5 | DG | H2' | H | 3.065 | 0.001 | 1 |
36 | 1 | 5 | DG | H2'' | H | 2.739 | 0.005 | 1 |
37 | 1 | 5 | DG | H3' | H | 4.878 | 0.0 | 1 |
38 | 1 | 5 | DG | H8 | H | 7.220 | 0.001 | 1 |
39 | 1 | 5 | DG | C8 | C | 141.865 | 1 | |
40 | 1 | 6 | DG | H1 | H | 11.194 | 0.001 | 1 |
41 | 1 | 6 | DG | H1' | H | 5.642 | 0.002 | 1 |
42 | 1 | 6 | DG | H2' | H | 2.634 | 0.001 | 1 |
43 | 1 | 6 | DG | H2'' | H | 2.462 | 0.002 | 1 |
44 | 1 | 6 | DG | H3' | H | 4.931 | 0.002 | 1 |
45 | 1 | 6 | DG | H8 | H | 7.101 | 0.001 | 1 |
46 | 1 | 6 | DG | C8 | C | 140.748 | 1 | |
47 | 1 | 7 | DG | H1 | H | 11.339 | 0.001 | 1 |
48 | 1 | 7 | DG | H1' | H | 5.943 | 0.002 | 1 |
49 | 1 | 7 | DG | H2' | H | 2.576 | 0.003 | 1 |
50 | 1 | 7 | DG | H2'' | H | 2.539 | 0.002 | 1 |
51 | 1 | 7 | DG | H3' | H | 5.063 | 0.003 | 1 |
52 | 1 | 7 | DG | H8 | H | 7.695 | 0.001 | 1 |
53 | 1 | 7 | DG | C8 | C | 137.887 | 1 | |
54 | 1 | 8 | DT | H1' | H | 6.263 | 0.002 | 1 |
55 | 1 | 8 | DT | H2' | H | 2.303 | 0.002 | 1 |
56 | 1 | 8 | DT | H2'' | H | 2.504 | 0.002 | 1 |
57 | 1 | 8 | DT | H3' | H | 4.814 | 0.002 | 1 |
58 | 1 | 8 | DT | H6 | H | 7.781 | 0.001 | 1 |
59 | 1 | 8 | DT | H71 | H | 1.927 | 0.002 | 1 |
60 | 1 | 8 | DT | H72 | H | 1.927 | 0.002 | 1 |
61 | 1 | 8 | DT | H73 | H | 1.927 | 0.002 | 1 |
62 | 1 | 8 | DT | C6 | C | 139.967 | 1 | |
63 | 1 | 9 | DC | H1' | H | 5.836 | 0.003 | 1 |
64 | 1 | 9 | DC | H2' | H | 1.015 | 0.004 | 1 |
65 | 1 | 9 | DC | H2'' | H | 1.849 | 0.003 | 1 |
66 | 1 | 9 | DC | H3' | H | 4.520 | 0.001 | 1 |
67 | 1 | 9 | DC | H5 | H | 5.630 | 0.0 | 1 |
68 | 1 | 9 | DC | H6 | H | 7.229 | 0.001 | 1 |
69 | 1 | 9 | DC | C6 | C | 142.754 | 1 | |
70 | 1 | 10 | DA | H1' | H | 5.874 | 0.004 | 1 |
71 | 1 | 10 | DA | H2 | H | 7.689 | 0.003 | 1 |
72 | 1 | 10 | DA | H2' | H | 2.726 | 0.001 | 1 |
73 | 1 | 10 | DA | H2'' | H | 2.668 | 0.005 | 1 |
74 | 1 | 10 | DA | H3' | H | 4.918 | 0.0 | 1 |
75 | 1 | 10 | DA | H8 | H | 7.940 | 0.002 | 1 |
76 | 1 | 10 | DA | C2 | C | 155.263 | 1 | |
77 | 1 | 10 | DA | C8 | C | 141.266 | 1 | |
78 | 1 | 11 | DG | H1 | H | 11.067 | 0.001 | 1 |
79 | 1 | 11 | DG | H1' | H | 6.066 | 0.003 | 1 |
80 | 1 | 11 | DG | H2' | H | 3.364 | 0.001 | 1 |
81 | 1 | 11 | DG | H2'' | H | 2.970 | 0.002 | 1 |
82 | 1 | 11 | DG | H3' | H | 4.903 | 0.002 | 1 |
83 | 1 | 11 | DG | H8 | H | 7.447 | 0.001 | 1 |
84 | 1 | 11 | DG | C8 | C | 142.337 | 1 | |
85 | 1 | 12 | DG | H1 | H | 11.808 | 0.002 | 1 |
86 | 1 | 12 | DG | H1' | H | 5.967 | 0.004 | 1 |
87 | 1 | 12 | DG | H2' | H | 2.480 | 0.009 | 1 |
88 | 1 | 12 | DG | H2'' | H | 2.756 | 0.001 | 1 |
89 | 1 | 12 | DG | H3' | H | 4.990 | 0.002 | 1 |
90 | 1 | 12 | DG | H8 | H | 7.870 | 0.001 | 1 |
91 | 1 | 12 | DG | C8 | C | 138.222 | 1 | |
92 | 1 | 13 | DG | H1 | H | 10.981 | 0.001 | 1 |
93 | 1 | 13 | DG | H1' | H | 6.266 | 0.006 | 1 |
94 | 1 | 13 | DG | H2' | H | 2.717 | 0.002 | 1 |
95 | 1 | 13 | DG | H2'' | H | 2.593 | 0.0 | 1 |
96 | 1 | 13 | DG | H3' | H | 5.023 | 0.0 | 1 |
97 | 1 | 13 | DG | H8 | H | 7.742 | 0.001 | 1 |
98 | 1 | 13 | DG | C8 | C | 138.237 | 1 | |
99 | 1 | 14 | DT | H1' | H | 6.595 | 0.001 | 1 |
100 | 1 | 14 | DT | H2' | H | 2.621 | 0.002 | 1 |
101 | 1 | 14 | DT | H2'' | H | 2.621 | 0.002 | 1 |
102 | 1 | 14 | DT | H6 | H | 7.814 | 0.002 | 1 |
103 | 1 | 14 | DT | H71 | H | 2.053 | 0.001 | 1 |
104 | 1 | 14 | DT | H72 | H | 2.053 | 0.001 | 1 |
105 | 1 | 14 | DT | H73 | H | 2.053 | 0.001 | 1 |
106 | 1 | 14 | DT | C6 | C | 140.345 | 1 | |
107 | 1 | 15 | DT | H1' | H | 6.418 | 0.002 | 1 |
108 | 1 | 15 | DT | H2' | H | 2.381 | 0.002 | 2 |
109 | 1 | 15 | DT | H2'' | H | 2.588 | 0.003 | 2 |
110 | 1 | 15 | DT | H3' | H | 4.687 | 0.001 | 1 |
111 | 1 | 15 | DT | H6 | H | 7.780 | 0.001 | 1 |
112 | 1 | 15 | DT | H71 | H | 1.953 | 0.0 | 1 |
113 | 1 | 15 | DT | H72 | H | 1.953 | 0.0 | 1 |
114 | 1 | 15 | DT | H73 | H | 1.953 | 0.0 | 1 |
115 | 1 | 15 | DT | C6 | C | 140.167 | 1 | |
116 | 1 | 16 | DG | H1 | H | 11.903 | 0.003 | 1 |
117 | 1 | 16 | DG | H1' | H | 6.046 | 0.002 | 1 |
118 | 1 | 16 | DG | H2' | H | 3.179 | 0.001 | 1 |
119 | 1 | 16 | DG | H2'' | H | 3.025 | 0.002 | 1 |
120 | 1 | 16 | DG | H3' | H | 4.905 | 0.002 | 1 |
121 | 1 | 16 | DG | H8 | H | 7.503 | 0.001 | 1 |
122 | 1 | 16 | DG | C8 | C | 142.409 | 1 | |
123 | 1 | 17 | DG | H1 | H | 11.736 | 0.0 | 1 |
124 | 1 | 17 | DG | H1' | H | 5.953 | 0.006 | 1 |
125 | 1 | 17 | DG | H2' | H | 2.510 | 0.006 | 1 |
126 | 1 | 17 | DG | H2'' | H | 2.732 | 0.005 | 1 |
127 | 1 | 17 | DG | H3' | H | 5.020 | 0.004 | 1 |
128 | 1 | 17 | DG | H8 | H | 7.749 | 0.002 | 1 |
129 | 1 | 17 | DG | C8 | C | 138.219 | 1 | |
130 | 1 | 18 | DG | H1 | H | 11.241 | 0.001 | 1 |
131 | 1 | 18 | DG | H1' | H | 6.300 | 0.002 | 1 |
132 | 1 | 18 | DG | H2' | H | 2.692 | 0.002 | 1 |
133 | 1 | 18 | DG | H2'' | H | 2.525 | 0.001 | 1 |
134 | 1 | 18 | DG | H3' | H | 5.034 | 0.002 | 1 |
135 | 1 | 18 | DG | H8 | H | 7.846 | 0.002 | 1 |
136 | 1 | 18 | DG | C8 | C | 138.204 | 1 | |
137 | 1 | 19 | DT | H1' | H | 6.597 | 0.001 | 1 |
138 | 1 | 19 | DT | H2' | H | 2.621 | 0.001 | 1 |
139 | 1 | 19 | DT | H2'' | H | 2.621 | 0.001 | 1 |
140 | 1 | 19 | DT | H6 | H | 7.813 | 0.001 | 1 |
141 | 1 | 19 | DT | H71 | H | 2.049 | 0.001 | 1 |
142 | 1 | 19 | DT | H72 | H | 2.049 | 0.001 | 1 |
143 | 1 | 19 | DT | H73 | H | 2.049 | 0.001 | 1 |
144 | 1 | 19 | DT | C6 | C | 140.338 | 1 | |
145 | 1 | 20 | DT | H1' | H | 6.417 | 0.001 | 1 |
146 | 1 | 20 | DT | H2' | H | 2.371 | 0.002 | 2 |
147 | 1 | 20 | DT | H2'' | H | 2.587 | 0.003 | 2 |
148 | 1 | 20 | DT | H3' | H | 4.683 | 0.001 | 1 |
149 | 1 | 20 | DT | H6 | H | 7.780 | 0.001 | 1 |
150 | 1 | 20 | DT | H71 | H | 1.953 | 0.0 | 1 |
151 | 1 | 20 | DT | H72 | H | 1.953 | 0.0 | 1 |
152 | 1 | 20 | DT | H73 | H | 1.953 | 0.0 | 1 |
153 | 1 | 20 | DT | C6 | C | 140.147 | 1 | |
154 | 1 | 21 | DG | H1 | H | 11.723 | 0.003 | 1 |
155 | 1 | 21 | DG | H1' | H | 5.994 | 0.003 | 1 |
156 | 1 | 21 | DG | H2' | H | 3.047 | 0.001 | 1 |
157 | 1 | 21 | DG | H2'' | H | 2.967 | 0.002 | 1 |
158 | 1 | 21 | DG | H3' | H | 4.888 | 0.0 | 1 |
159 | 1 | 21 | DG | H8 | H | 7.405 | 0.001 | 1 |
160 | 1 | 21 | DG | C8 | C | 142.052 | 1 | |
161 | 1 | 22 | DG | H1 | H | 11.826 | 0.003 | 1 |
162 | 1 | 22 | DG | H1' | H | 5.853 | 0.003 | 1 |
163 | 1 | 22 | DG | H2' | H | 2.566 | 0.006 | 1 |
164 | 1 | 22 | DG | H2'' | H | 2.796 | 0.0 | 1 |
165 | 1 | 22 | DG | H3' | H | 5.046 | 0.003 | 1 |
166 | 1 | 22 | DG | H8 | H | 7.766 | 0.003 | 1 |
167 | 1 | 22 | DG | C8 | C | 138.223 | 1 | |
168 | 1 | 23 | DG | H1 | H | 11.089 | 0.003 | 1 |
169 | 1 | 23 | DG | H1' | H | 5.776 | 0.003 | 1 |
170 | 1 | 23 | DG | H2' | H | 2.636 | 0.005 | 1 |
171 | 1 | 23 | DG | H2'' | H | 2.656 | 0.003 | 1 |
172 | 1 | 23 | DG | H3' | H | 5.024 | 0.001 | 1 |
173 | 1 | 23 | DG | H8 | H | 7.817 | 0.002 | 1 |
174 | 1 | 23 | DG | C8 | C | 137.964 | 1 | |
175 | 1 | 24 | DA | H1' | H | 6.282 | 0.003 | 1 |
176 | 1 | 24 | DA | H2 | H | 7.592 | 0.001 | 1 |
177 | 1 | 24 | DA | H2' | H | 2.657 | 0.01 | 1 |
178 | 1 | 24 | DA | H2'' | H | 2.871 | 0.001 | 1 |
179 | 1 | 24 | DA | H3' | H | 5.098 | 0.001 | 1 |
180 | 1 | 24 | DA | H8 | H | 8.305 | 0.001 | 1 |
181 | 1 | 24 | DA | C2 | C | 154.917 | 1 | |
182 | 1 | 24 | DA | C8 | C | 141.278 | 1 | |
183 | 1 | 25 | DC | H1' | H | 5.570 | 0.004 | 1 |
184 | 1 | 25 | DC | H2' | H | 1.907 | 0.002 | 1 |
185 | 1 | 25 | DC | H2'' | H | 2.254 | 0.003 | 1 |
186 | 1 | 25 | DC | H3' | H | 4.830 | 0.0 | 1 |
187 | 1 | 25 | DC | H5 | H | 5.237 | 0.002 | 1 |
188 | 1 | 25 | DC | H6 | H | 7.223 | 0.002 | 1 |
189 | 1 | 25 | DC | H41 | H | 7.983 | 0.001 | 1 |
190 | 1 | 25 | DC | H42 | H | 6.357 | 0.001 | 1 |
191 | 1 | 25 | DC | C6 | C | 142.548 | 1 | |
192 | 1 | 26 | DG | H1 | H | 12.942 | 0.004 | 1 |
193 | 1 | 26 | DG | H1' | H | 5.878 | 0.002 | 1 |
194 | 1 | 26 | DG | H2' | H | 2.583 | 0.003 | 1 |
195 | 1 | 26 | DG | H2'' | H | 2.675 | 0.005 | 1 |
196 | 1 | 26 | DG | H3' | H | 4.930 | 0.002 | 1 |
197 | 1 | 26 | DG | H8 | H | 7.843 | 0.002 | 1 |
198 | 1 | 26 | DG | C8 | C | 138.209 | 1 | |
199 | 1 | 27 | DC | H1' | H | 6.134 | 0.003 | 1 |
200 | 1 | 27 | DC | H2' | H | 2.120 | 0.006 | 1 |
201 | 1 | 27 | DC | H2'' | H | 2.131 | 0.006 | 1 |
202 | 1 | 27 | DC | H3' | H | 4.451 | 0.001 | 1 |
203 | 1 | 27 | DC | H5 | H | 5.503 | 0.002 | 1 |
204 | 1 | 27 | DC | H6 | H | 7.427 | 0.002 | 1 |
205 | 1 | 27 | DC | H41 | H | 6.652 | 1 | |
206 | 1 | 27 | DC | H42 | H | 8.057 | 1 | |
207 | 1 | 27 | DC | C6 | C | 143.247 | 1 |