Solution structure of a self complementary Xylonucleic Acid duplex
ID | Entity ID | Seq ID | Comp ID | Atom ID | Atom type | Val | Val err | Ambig. code |
---|---|---|---|---|---|---|---|---|
1 | 1 | 1 | 8XG | C1' | C | 92.397 | 0.3 | 1 |
2 | 1 | 1 | 8XG | C2' | C | 79.271 | 0.3 | 1 |
3 | 1 | 1 | 8XG | C3' | C | 79.855 | 0.3 | 1 |
4 | 1 | 1 | 8XG | C4 | C | 152.073 | 0.3 | 1 |
5 | 1 | 1 | 8XG | C4' | C | 85.605 | 0.3 | 1 |
6 | 1 | 1 | 8XG | C5 | C | 117.46 | 0.3 | 1 |
7 | 1 | 1 | 8XG | C5' | C | 60.987 | 0.3 | 1 |
8 | 1 | 1 | 8XG | C8 | C | 138.2 | 0.3 | 1 |
9 | 1 | 1 | 8XG | H1 | H | 13.368 | 0.02 | 1 |
10 | 1 | 1 | 8XG | H1' | H | 6.023 | 0.02 | 1 |
11 | 1 | 1 | 8XG | H2' | H | 4.623 | 0.02 | 1 |
12 | 1 | 1 | 8XG | H3' | H | 4.69 | 0.02 | 1 |
13 | 1 | 1 | 8XG | H4' | H | 4.685 | 0.02 | 1 |
14 | 1 | 1 | 8XG | H5' | H | 4.12 | 0.02 | 1 |
15 | 1 | 1 | 8XG | H5'' | H | 4.114 | 0.02 | 1 |
16 | 1 | 1 | 8XG | H8 | H | 7.944 | 0.02 | 1 |
17 | 1 | 2 | 8XU | C1' | C | 93.449 | 0.3 | 1 |
18 | 1 | 2 | 8XU | C2 | C | 152.146 | 0.3 | 1 |
19 | 1 | 2 | 8XU | C2' | C | 78.612 | 0.3 | 1 |
20 | 1 | 2 | 8XU | C3' | C | 79.161 | 0.3 | 1 |
21 | 1 | 2 | 8XU | C4 | C | 169.208 | 0.3 | 1 |
22 | 1 | 2 | 8XU | C4' | C | 83.537 | 0.3 | 1 |
23 | 1 | 2 | 8XU | C5 | C | 102.116 | 0.3 | 1 |
24 | 1 | 2 | 8XU | C5' | C | 62.107 | 0.3 | 1 |
25 | 1 | 2 | 8XU | C6 | C | 142.774 | 0.3 | 1 |
26 | 1 | 2 | 8XU | H1' | H | 5.825 | 0.02 | 1 |
27 | 1 | 2 | 8XU | H2' | H | 4.654 | 0.02 | 1 |
28 | 1 | 2 | 8XU | H3 | H | 14.011 | 0.02 | 1 |
29 | 1 | 2 | 8XU | H3' | H | 4.539 | 0.02 | 1 |
30 | 1 | 2 | 8XU | H4' | H | 4.332 | 0.02 | 1 |
31 | 1 | 2 | 8XU | H5 | H | 5.866 | 0.02 | 1 |
32 | 1 | 2 | 8XU | H5' | H | 4.021 | 0.02 | 1 |
33 | 1 | 2 | 8XU | H5'' | H | 2.94 | 0.02 | 1 |
34 | 1 | 2 | 8XU | H6 | H | 7.523 | 0.02 | 1 |
35 | 1 | 2 | 8XU | P | P | -0.705 | 0.03 | 1 |
36 | 1 | 3 | 8XG | C1' | C | 92.51 | 0.3 | 1 |
37 | 1 | 3 | 8XG | C2' | C | 79.182 | 0.3 | 1 |
38 | 1 | 3 | 8XG | C3' | C | 79.385 | 0.3 | 1 |
39 | 1 | 3 | 8XG | C4 | C | 150.645 | 0.3 | 1 |
40 | 1 | 3 | 8XG | C4' | C | 85.246 | 0.3 | 1 |
41 | 1 | 3 | 8XG | C5 | C | 116.961 | 0.3 | 1 |
42 | 1 | 3 | 8XG | C5' | C | 64.378 | 0.3 | 1 |
43 | 1 | 3 | 8XG | C8 | C | 137.351 | 0.3 | 1 |
44 | 1 | 3 | 8XG | H1 | H | 13.128 | 0.02 | 1 |
45 | 1 | 3 | 8XG | H1' | H | 5.713 | 0.02 | 1 |
46 | 1 | 3 | 8XG | H2' | H | 4.277 | 0.02 | 1 |
47 | 1 | 3 | 8XG | H21 | H | 8.802 | 0.02 | 1 |
48 | 1 | 3 | 8XG | H22 | H | 8.812 | 0.02 | 1 |
49 | 1 | 3 | 8XG | H3' | H | 4.583 | 0.02 | 1 |
50 | 1 | 3 | 8XG | H4' | H | 4.621 | 0.02 | 1 |
51 | 1 | 3 | 8XG | H5' | H | 4.269 | 0.02 | 1 |
52 | 1 | 3 | 8XG | H5'' | H | 4.01 | 0.02 | 1 |
53 | 1 | 3 | 8XG | H8 | H | 7.623 | 0.02 | 1 |
54 | 1 | 3 | 8XG | P | P | 0.23 | 0.03 | 1 |
55 | 1 | 4 | 8XU | C1' | C | 93.336 | 0.3 | 1 |
56 | 1 | 4 | 8XU | C2 | C | 151.887 | 0.3 | 1 |
57 | 1 | 4 | 8XU | C2' | C | 79.258 | 0.3 | 1 |
58 | 1 | 4 | 8XU | C3' | C | 78.562 | 0.3 | 1 |
59 | 1 | 4 | 8XU | C4 | C | 169.24 | 0.3 | 1 |
60 | 1 | 4 | 8XU | C4' | C | 83.073 | 0.3 | 1 |
61 | 1 | 4 | 8XU | C5 | C | 101.921 | 0.3 | 1 |
62 | 1 | 4 | 8XU | C5' | C | 60.763 | 0.3 | 1 |
63 | 1 | 4 | 8XU | C6 | C | 142.602 | 0.3 | 1 |
64 | 1 | 4 | 8XU | H1' | H | 5.568 | 0.02 | 1 |
65 | 1 | 4 | 8XU | H2' | H | 4.633 | 0.02 | 1 |
66 | 1 | 4 | 8XU | H3 | H | 14.163 | 0.02 | 1 |
67 | 1 | 4 | 8XU | H3' | H | 4.442 | 0.02 | 1 |
68 | 1 | 4 | 8XU | H4' | H | 4.136 | 0.02 | 1 |
69 | 1 | 4 | 8XU | H5 | H | 5.795 | 0.02 | 1 |
70 | 1 | 4 | 8XU | H5' | H | 3.763 | 0.02 | 1 |
71 | 1 | 4 | 8XU | H5'' | H | 2.276 | 0.02 | 1 |
72 | 1 | 4 | 8XU | H6 | H | 7.277 | 0.02 | 1 |
73 | 1 | 4 | 8XU | P | P | -1.332 | 0.03 | 1 |
74 | 1 | 5 | 8XA | C1' | C | 92.753 | 0.3 | 1 |
75 | 1 | 5 | 8XA | C2 | C | 151.619 | 0.3 | 1 |
76 | 1 | 5 | 8XA | C2' | C | 79.179 | 0.3 | 1 |
77 | 1 | 5 | 8XA | C3' | C | 79.624 | 0.3 | 1 |
78 | 1 | 5 | 8XA | C4 | C | 147.55 | 0.3 | 1 |
79 | 1 | 5 | 8XA | C4' | C | 85.26 | 0.3 | 1 |
80 | 1 | 5 | 8XA | C5 | C | 119.665 | 0.3 | 1 |
81 | 1 | 5 | 8XA | C5' | C | 64.415 | 0.3 | 1 |
82 | 1 | 5 | 8XA | C6 | C | 156.247 | 0.3 | 1 |
83 | 1 | 5 | 8XA | C8 | C | 139.987 | 0.3 | 1 |
84 | 1 | 5 | 8XA | H1' | H | 5.953 | 0.02 | 1 |
85 | 1 | 5 | 8XA | H2 | H | 7.953 | 0.02 | 1 |
86 | 1 | 5 | 8XA | H2' | H | 4.358 | 0.02 | 1 |
87 | 1 | 5 | 8XA | H3' | H | 4.591 | 0.02 | 1 |
88 | 1 | 5 | 8XA | H4' | H | 4.668 | 0.02 | 1 |
89 | 1 | 5 | 8XA | H5' | H | 4.249 | 0.02 | 1 |
90 | 1 | 5 | 8XA | H5'' | H | 4.025 | 0.02 | 1 |
91 | 1 | 5 | 8XA | H61 | H | 7.684 | 0.02 | 1 |
92 | 1 | 5 | 8XA | H62 | H | 6.71 | 0.02 | 1 |
93 | 1 | 5 | 8XA | H8 | H | 7.972 | 0.02 | 1 |
94 | 1 | 5 | 8XA | P | P | 0.497 | 0.03 | 1 |
95 | 1 | 6 | 8XC | C1' | C | 93.449 | 0.3 | 1 |
96 | 1 | 6 | 8XC | C2 | C | 158.232 | 0.3 | 1 |
97 | 1 | 6 | 8XC | C2' | C | 78.921 | 0.3 | 1 |
98 | 1 | 6 | 8XC | C3' | C | 78.562 | 0.3 | 1 |
99 | 1 | 6 | 8XC | C4 | C | 167.597 | 0.3 | 1 |
100 | 1 | 6 | 8XC | C4' | C | 82.721 | 0.3 | 1 |
101 | 1 | 6 | 8XC | C5 | C | 96.106 | 0.3 | 1 |
102 | 1 | 6 | 8XC | C5' | C | 61.212 | 0.3 | 1 |
103 | 1 | 6 | 8XC | C6 | C | 142.248 | 0.3 | 1 |
104 | 1 | 6 | 8XC | H1' | H | 5.224 | 0.02 | 1 |
105 | 1 | 6 | 8XC | H2' | H | 4.466 | 0.02 | 1 |
106 | 1 | 6 | 8XC | H3' | H | 4.323 | 0.02 | 1 |
107 | 1 | 6 | 8XC | H4' | H | 3.907 | 0.02 | 1 |
108 | 1 | 6 | 8XC | H41 | H | 8.302 | 0.02 | 1 |
109 | 1 | 6 | 8XC | H42 | H | 7.103 | 0.02 | 1 |
110 | 1 | 6 | 8XC | H5 | H | 5.881 | 0.02 | 1 |
111 | 1 | 6 | 8XC | H5' | H | 3.65 | 0.02 | 1 |
112 | 1 | 6 | 8XC | H5'' | H | 2.135 | 0.02 | 1 |
113 | 1 | 6 | 8XC | H6 | H | 7.107 | 0.02 | 1 |
114 | 1 | 6 | 8XC | P | P | -1.094 | 0.03 | 1 |
115 | 1 | 7 | 8XA | C1' | C | 92.874 | 0.3 | 1 |
116 | 1 | 7 | 8XA | C2 | C | 151.779 | 0.3 | 1 |
117 | 1 | 7 | 8XA | C2' | C | 79.181 | 0.3 | 1 |
118 | 1 | 7 | 8XA | C3' | C | 79.621 | 0.3 | 1 |
119 | 1 | 7 | 8XA | C4 | C | 147.899 | 0.3 | 1 |
120 | 1 | 7 | 8XA | C4' | C | 84.78 | 0.3 | 1 |
121 | 1 | 7 | 8XA | C5 | C | 119.761 | 0.3 | 1 |
122 | 1 | 7 | 8XA | C5' | C | 64.032 | 0.3 | 1 |
123 | 1 | 7 | 8XA | C6 | C | 156.477 | 0.3 | 1 |
124 | 1 | 7 | 8XA | C8 | C | 140.217 | 0.3 | 1 |
125 | 1 | 7 | 8XA | H1' | H | 6.12 | 0.02 | 1 |
126 | 1 | 7 | 8XA | H2 | H | 8.079 | 0.02 | 1 |
127 | 1 | 7 | 8XA | H2' | H | 4.581 | 0.02 | 1 |
128 | 1 | 7 | 8XA | H3' | H | 4.559 | 0.02 | 1 |
129 | 1 | 7 | 8XA | H4' | H | 4.587 | 0.02 | 1 |
130 | 1 | 7 | 8XA | H5' | H | 4.191 | 0.02 | 1 |
131 | 1 | 7 | 8XA | H5'' | H | 3.807 | 0.02 | 1 |
132 | 1 | 7 | 8XA | H8 | H | 7.924 | 0.02 | 1 |
133 | 1 | 7 | 8XA | P | P | 0.039 | 0.03 | 1 |
134 | 1 | 8 | 8XC | C1' | C | 93.798 | 0.3 | 1 |
135 | 1 | 8 | 8XC | C2 | C | 158.64 | 0.3 | 1 |
136 | 1 | 8 | 8XC | C2' | C | 80.759 | 0.3 | 1 |
137 | 1 | 8 | 8XC | C3' | C | 77.043 | 0.3 | 1 |
138 | 1 | 8 | 8XC | C4 | C | 167.871 | 0.3 | 1 |
139 | 1 | 8 | 8XC | C4' | C | 84.213 | 0.3 | 1 |
140 | 1 | 8 | 8XC | C5 | C | 96.139 | 0.3 | 1 |
141 | 1 | 8 | 8XC | C5' | C | 63.561 | 0.3 | 1 |
142 | 1 | 8 | 8XC | C6 | C | 142.575 | 0.3 | 1 |
143 | 1 | 8 | 8XC | H1' | H | 5.239 | 0.02 | 1 |
144 | 1 | 8 | 8XC | H2' | H | 4.273 | 0.02 | 1 |
145 | 1 | 8 | 8XC | H3' | H | 4.193 | 0.02 | 1 |
146 | 1 | 8 | 8XC | H4' | H | 4.087 | 0.02 | 1 |
147 | 1 | 8 | 8XC | H41 | H | 8.15 | 0.02 | 1 |
148 | 1 | 8 | 8XC | H42 | H | 7.035 | 0.02 | 1 |
149 | 1 | 8 | 8XC | H5 | H | 5.776 | 0.02 | 1 |
150 | 1 | 8 | 8XC | H5' | H | 3.86 | 0.02 | 1 |
151 | 1 | 8 | 8XC | H5'' | H | 2.904 | 0.02 | 1 |
152 | 1 | 8 | 8XC | H6 | H | 7.069 | 0.02 | 1 |
153 | 1 | 8 | 8XC | P | P | -0.317 | 0.03 | 1 |