An i-motif domain able to undergo pH-dependent conformational transitions (neutral structure)
ID | Entity ID | Seq ID | Comp ID | Atom ID | Atom type | Val | Val err | Ambig. code |
---|---|---|---|---|---|---|---|---|
1 | 1 | 1 | DC | H1' | H | 6.230 | 0.001 | |
2 | 1 | 1 | DC | H2' | H | 2.335 | 0.001 | |
3 | 1 | 1 | DC | H2'' | H | 2.534 | 0.003 | |
4 | 1 | 1 | DC | H3' | H | 4.832 | 0.001 | |
5 | 1 | 1 | DC | H5 | H | 5.998 | 0.000 | |
6 | 1 | 1 | DC | H6 | H | 7.853 | 0.003 | |
7 | 1 | 2 | DNR | H1' | H | 6.234 | 0.002 | |
8 | 1 | 2 | DNR | H2' | H | 1.017 | 0.002 | |
9 | 1 | 2 | DNR | H2'' | H | 2.184 | 0.001 | |
10 | 1 | 2 | DNR | H3' | H | 4.682 | 0.001 | |
11 | 1 | 2 | DNR | H5 | H | 6.011 | 0.001 | |
12 | 1 | 2 | DNR | H6 | H | 7.462 | 0.002 | |
13 | 1 | 2 | DNR | H41 | H | 8.168 | 0.009 | |
14 | 1 | 2 | DNR | H42 | H | 9.559 | 0.003 | |
15 | 1 | 2 | DNR | HN3 | H | 15.419 | 0.008 | |
16 | 1 | 3 | DG | H1 | H | 11.914 | 0.002 | |
17 | 1 | 3 | DG | H1' | H | 6.005 | 0.002 | |
18 | 1 | 3 | DG | H2' | H | 2.996 | 0.002 | |
19 | 1 | 3 | DG | H2'' | H | 2.683 | 0.004 | |
20 | 1 | 3 | DG | H3' | H | 5.071 | 0.003 | |
21 | 1 | 3 | DG | H8 | H | 8.229 | 0.001 | |
22 | 1 | 3 | DG | H21 | H | 6.533 | 0.000 | |
23 | 1 | 3 | DG | H22 | H | 8.213 | 0.004 | |
24 | 1 | 4 | DT | H1' | H | 6.118 | 0.002 | |
25 | 1 | 4 | DT | H2' | H | 2.036 | 0.000 | |
26 | 1 | 4 | DT | H2'' | H | 2.344 | 0.014 | |
27 | 1 | 4 | DT | H3' | H | 4.803 | 0.000 | |
28 | 1 | 4 | DT | H6 | H | 7.622 | 0.000 | |
29 | 1 | 4 | DT | H71 | H | 1.740 | 0.001 | |
30 | 1 | 4 | DT | H72 | H | 1.740 | 0.001 | |
31 | 1 | 4 | DT | H73 | H | 1.740 | 0.001 | |
32 | 1 | 5 | DT | H1' | H | 6.472 | 0.002 | |
33 | 1 | 5 | DT | H2' | H | 2.282 | 0.000 | |
34 | 1 | 5 | DT | H2'' | H | 2.556 | 0.004 | |
35 | 1 | 5 | DT | H3' | H | 4.661 | 0.000 | |
36 | 1 | 5 | DT | H6 | H | 7.842 | 0.000 | |
37 | 1 | 5 | DT | H71 | H | 1.943 | 0.001 | |
38 | 1 | 5 | DT | H72 | H | 1.943 | 0.001 | |
39 | 1 | 5 | DT | H73 | H | 1.943 | 0.001 | |
40 | 1 | 6 | DC | H1' | H | 6.320 | 0.002 | |
41 | 1 | 6 | DC | H2' | H | 2.456 | 0.005 | |
42 | 1 | 6 | DC | H2'' | H | 2.456 | 0.002 | |
43 | 1 | 6 | DC | H3' | H | 4.841 | 0.005 | |
44 | 1 | 6 | DC | H5 | H | 6.123 | 0.000 | |
45 | 1 | 6 | DC | H6 | H | 7.906 | 0.002 | |
46 | 1 | 6 | DC | H41 | H | 7.392 | 0.009 | |
47 | 1 | 6 | DC | H42 | H | 8.569 | 0.003 | |
48 | 1 | 7 | DNR | H1' | H | 6.199 | 0.002 | |
49 | 1 | 7 | DNR | H2' | H | 0.854 | 0.003 | |
50 | 1 | 7 | DNR | H2'' | H | 2.080 | 0.001 | |
51 | 1 | 7 | DNR | H3' | H | 4.680 | 0.005 | |
52 | 1 | 7 | DNR | H5 | H | 5.861 | 0.001 | |
53 | 1 | 7 | DNR | H6 | H | 7.400 | 0.002 | |
54 | 1 | 7 | DNR | H41 | H | 7.802 | 0.009 | |
55 | 1 | 7 | DNR | H42 | H | 9.764 | 0.003 | |
56 | 1 | 7 | DNR | HN3 | H | 15.409 | 0.008 | |
57 | 1 | 8 | DG | H1 | H | 13.424 | 0.002 | |
58 | 1 | 8 | DG | H1' | H | 6.040 | 0.001 | |
59 | 1 | 8 | DG | H2' | H | 3.032 | 0.002 | |
60 | 1 | 8 | DG | H2'' | H | 2.692 | 0.001 | |
61 | 1 | 8 | DG | H3' | H | 5.122 | 0.002 | |
62 | 1 | 8 | DG | H8 | H | 8.256 | 0.002 | |
63 | 1 | 8 | DG | H21 | H | 7.663 | 0.000 | |
64 | 1 | 8 | DG | H22 | H | 7.953 | 0.004 | |
65 | 1 | 9 | DT | H1' | H | 5.982 | 0.001 | |
66 | 1 | 9 | DT | H2' | H | 2.033 | 0.000 | |
67 | 1 | 9 | DT | H2'' | H | 2.362 | 0.000 | |
68 | 1 | 9 | DT | H3' | H | 4.804 | 0.002 | |
69 | 1 | 9 | DT | H6 | H | 7.612 | 0.000 | |
70 | 1 | 9 | DT | H71 | H | 1.165 | 0.000 | |
71 | 1 | 9 | DT | H72 | H | 1.165 | 0.000 | |
72 | 1 | 9 | DT | H73 | H | 1.165 | 0.000 | |
73 | 1 | 10 | DT | H1' | H | 6.122 | 0.001 | |
74 | 1 | 10 | DT | H2' | H | 2.413 | 0.000 | |
75 | 1 | 10 | DT | H2'' | H | 2.512 | 0.000 | |
76 | 1 | 10 | DT | H3' | H | 4.874 | 0.002 | |
77 | 1 | 10 | DT | H6 | H | 7.632 | 0.000 | |
78 | 1 | 10 | DT | H71 | H | 1.822 | 0.000 | |
79 | 1 | 10 | DT | H72 | H | 1.822 | 0.000 | |
80 | 1 | 10 | DT | H73 | H | 1.822 | 0.000 | |
81 | 1 | 11 | DT | H1' | H | 6.312 | 0.001 | |
82 | 1 | 11 | DT | H2' | H | 2.403 | 0.000 | |
83 | 1 | 11 | DT | H2'' | H | 2.542 | 0.000 | |
84 | 1 | 11 | DT | H3' | H | 4.904 | 0.002 | |
85 | 1 | 11 | DT | H6 | H | 7.702 | 0.000 | |
86 | 1 | 11 | DT | H71 | H | 1.908 | 0.000 | |
87 | 1 | 11 | DT | H72 | H | 1.908 | 0.000 | |
88 | 1 | 11 | DT | H73 | H | 1.908 | 0.000 | |
89 | 1 | 12 | DT | H1' | H | 6.342 | 0.001 | |
90 | 1 | 12 | DT | H2' | H | 2.383 | 0.000 | |
91 | 1 | 12 | DT | H2'' | H | 2.582 | 0.000 | |
92 | 1 | 12 | DT | H3' | H | 4.934 | 0.002 | |
93 | 1 | 12 | DT | H6 | H | 7.732 | 0.000 | |
94 | 1 | 12 | DT | H71 | H | 1.922 | 0.000 | |
95 | 1 | 12 | DT | H72 | H | 1.922 | 0.000 | |
96 | 1 | 12 | DT | H73 | H | 1.922 | 0.000 | |
97 | 1 | 13 | DT | H1' | H | 6.342 | 0.001 | |
98 | 1 | 13 | DT | H2' | H | 2.373 | 0.000 | |
99 | 1 | 13 | DT | H2'' | H | 2.592 | 0.000 | |
100 | 1 | 13 | DT | H3' | H | 4.954 | 0.002 | |
101 | 1 | 13 | DT | H6 | H | 7.742 | 0.000 | |
102 | 1 | 13 | DT | H71 | H | 1.932 | 0.000 | |
103 | 1 | 13 | DT | H72 | H | 1.932 | 0.000 | |
104 | 1 | 13 | DT | H73 | H | 1.932 | 0.000 | |
105 | 1 | 14 | DC | H1' | H | 6.348 | 0.002 | |
106 | 1 | 14 | DC | H2' | H | 2.415 | 0.004 | |
107 | 1 | 14 | DC | H2'' | H | 2.586 | 0.000 | |
108 | 1 | 14 | DC | H3' | H | 4.962 | 0.002 | |
109 | 1 | 14 | DC | H5 | H | 6.028 | 0.000 | |
110 | 1 | 14 | DC | H6 | H | 7.900 | 0.002 | |
111 | 1 | 15 | DC | H1' | H | 6.247 | 0.006 | |
112 | 1 | 15 | DC | H2' | H | 0.099 | 0.003 | |
113 | 1 | 15 | DC | H2'' | H | 2.088 | 0.000 | |
114 | 1 | 15 | DC | H3' | H | 4.721 | 0.000 | |
115 | 1 | 15 | DC | H5 | H | 6.143 | 0.000 | |
116 | 1 | 15 | DC | H6 | H | 7.518 | 0.002 | |
117 | 1 | 15 | DC | H41 | H | 8.283 | 0.009 | |
118 | 1 | 15 | DC | H42 | H | 9.561 | 0.003 | |
119 | 1 | 16 | DG | H1 | H | 12.301 | 0.001 | |
120 | 1 | 16 | DG | H1' | H | 6.023 | 0.002 | |
121 | 1 | 16 | DG | H2' | H | 2.998 | 0.001 | |
122 | 1 | 16 | DG | H2'' | H | 2.693 | 0.001 | |
123 | 1 | 16 | DG | H3' | H | 5.073 | 0.002 | |
124 | 1 | 16 | DG | H8 | H | 8.227 | 0.002 | |
125 | 1 | 17 | DT | H1' | H | 6.118 | 0.002 | |
126 | 1 | 17 | DT | H2' | H | 2.030 | 0.000 | |
127 | 1 | 17 | DT | H2'' | H | 2.343 | 0.014 | |
128 | 1 | 17 | DT | H3' | H | 4.803 | 0.000 | |
129 | 1 | 17 | DT | H6 | H | 7.638 | 0.000 | |
130 | 1 | 17 | DT | H71 | H | 1.785 | 0.001 | |
131 | 1 | 17 | DT | H72 | H | 1.785 | 0.001 | |
132 | 1 | 17 | DT | H73 | H | 1.785 | 0.001 | |
133 | 1 | 18 | DT | H1' | H | 6.472 | 0.002 | |
134 | 1 | 18 | DT | H2' | H | 2.282 | 0.000 | |
135 | 1 | 18 | DT | H2'' | H | 2.566 | 0.004 | |
136 | 1 | 18 | DT | H3' | H | 4.661 | 0.000 | |
137 | 1 | 18 | DT | H6 | H | 7.842 | 0.000 | |
138 | 1 | 18 | DT | H71 | H | 1.943 | 0.001 | |
139 | 1 | 18 | DT | H72 | H | 1.943 | 0.001 | |
140 | 1 | 18 | DT | H73 | H | 1.943 | 0.001 | |
141 | 1 | 19 | DC | H1' | H | 6.330 | 0.002 | |
142 | 1 | 19 | DC | H2' | H | 2.436 | 0.005 | |
143 | 1 | 19 | DC | H2'' | H | 2.481 | 0.002 | |
144 | 1 | 19 | DC | H3' | H | 4.841 | 0.005 | |
145 | 1 | 19 | DC | H5 | H | 6.123 | 0.000 | |
146 | 1 | 19 | DC | H6 | H | 7.906 | 0.002 | |
147 | 1 | 19 | DC | H41 | H | 7.392 | 0.009 | |
148 | 1 | 19 | DC | H42 | H | 8.569 | 0.003 | |
149 | 1 | 20 | DC | H1' | H | 6.199 | 0.002 | |
150 | 1 | 20 | DC | H2' | H | 0.854 | 0.003 | |
151 | 1 | 20 | DC | H2'' | H | 2.080 | 0.001 | |
152 | 1 | 20 | DC | H3' | H | 4.680 | 0.005 | |
153 | 1 | 20 | DC | H5 | H | 5.861 | 0.001 | |
154 | 1 | 20 | DC | H6 | H | 7.400 | 0.002 | |
155 | 1 | 20 | DC | H41 | H | 7.802 | 0.009 | |
156 | 1 | 20 | DC | H42 | H | 9.759 | 0.003 | |
157 | 1 | 21 | DG | H1 | H | 13.384 | 0.002 | |
158 | 1 | 21 | DG | H1' | H | 6.010 | 0.001 | |
159 | 1 | 21 | DG | H2' | H | 2.992 | 0.002 | |
160 | 1 | 21 | DG | H2'' | H | 2.682 | 0.001 | |
161 | 1 | 21 | DG | H3' | H | 5.082 | 0.002 | |
162 | 1 | 21 | DG | H8 | H | 8.236 | 0.002 | |
163 | 1 | 21 | DG | H21 | H | 7.743 | 0.000 | |
164 | 1 | 21 | DG | H22 | H | 7.923 | 0.004 | |
165 | 1 | 22 | DT | H1' | H | 5.988 | 0.001 | |
166 | 1 | 22 | DT | H2' | H | 2.053 | 0.000 | |
167 | 1 | 22 | DT | H2'' | H | 2.192 | 0.000 | |
168 | 1 | 22 | DT | H3' | H | 4.454 | 0.002 | |
169 | 1 | 22 | DT | H6 | H | 7.652 | 0.000 | |
170 | 1 | 22 | DT | H71 | H | 1.745 | 0.000 | |
171 | 1 | 22 | DT | H72 | H | 1.745 | 0.000 | |
172 | 1 | 22 | DT | H73 | H | 1.745 | 0.000 |