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1bgz_MC
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@@ -0,0 +1,325 @@
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1 |
+
Residue conformations -------------------------------------------
|
2 |
+
A1 : G C3p_endo anti
|
3 |
+
A2 : G C3p_endo anti
|
4 |
+
A3 : G C3p_endo anti
|
5 |
+
A4 : A C3p_endo anti
|
6 |
+
A5 : U C3p_exo anti
|
7 |
+
A6 : A C3p_endo anti
|
8 |
+
A7 : C C3p_endo anti
|
9 |
+
A8 : U C3p_endo anti
|
10 |
+
A9 : G C3p_endo anti
|
11 |
+
A10 : C C3p_endo anti
|
12 |
+
A11 : U C3p_endo anti
|
13 |
+
A12 : U C3p_exo anti
|
14 |
+
A13 : C C3p_exo anti
|
15 |
+
A14 : G C3p_endo syn
|
16 |
+
A15 : G C3p_endo anti
|
17 |
+
A16 : U C3p_endo anti
|
18 |
+
A17 : A C3p_exo anti
|
19 |
+
A18 : A C3p_endo anti
|
20 |
+
A19 : G C3p_endo anti
|
21 |
+
A20 : U C3p_endo anti
|
22 |
+
A21 : C C3p_endo anti
|
23 |
+
A22 : C C3p_endo anti
|
24 |
+
A23 : C C3p_endo anti
|
25 |
+
Adjacent stackings ----------------------------------------------
|
26 |
+
A1-A2 : adjacent_5p upward
|
27 |
+
A2-A3 : adjacent_5p upward
|
28 |
+
A3-A4 : adjacent_5p upward
|
29 |
+
A4-A5 : adjacent_5p upward
|
30 |
+
A6-A7 : adjacent_5p upward
|
31 |
+
A8-A9 : adjacent_5p upward
|
32 |
+
A9-A10 : adjacent_5p upward
|
33 |
+
A10-A11 : adjacent_5p upward
|
34 |
+
A14-A15 : adjacent_5p outward
|
35 |
+
A15-A16 : adjacent_5p upward
|
36 |
+
A16-A17 : adjacent_5p upward
|
37 |
+
A18-A19 : adjacent_5p upward
|
38 |
+
A20-A21 : adjacent_5p upward
|
39 |
+
A22-A23 : adjacent_5p upward
|
40 |
+
Non-Adjacent stackings ------------------------------------------
|
41 |
+
Number of stackings = 14
|
42 |
+
Number of adjacent stackings = 14
|
43 |
+
Number of non adjacent stackings = 0
|
44 |
+
Base-pairs ------------------------------------------------------
|
45 |
+
A1-A23 : G-C Wh/Ww pairing antiparallel cis one_hbond
|
46 |
+
A2-A22 : G-C Ww/Ww pairing antiparallel cis one_hbond
|
47 |
+
A3-A21 : G-C Ww/Ww pairing antiparallel cis XIX
|
48 |
+
A4-A20 : A-U Ww/Ww pairing antiparallel cis XX
|
49 |
+
A5-A7 : U-C O2'/Bh pairing
|
50 |
+
A5-A17 : U-A O2'/Bh pairing
|
51 |
+
A7-A19 : C-G Ww/Ww pairing antiparallel cis XIX
|
52 |
+
A8-A18 : U-A Ww/Ww pairing antiparallel cis XX
|
53 |
+
A9-A16 : G-U Ww/Ws pairing antiparallel cis XXVIII
|
54 |
+
A10-A15 : C-G Ws/Ww pairing antiparallel cis one_hbond 130
|
55 |
+
A12-A13 : U-C O2P/Ww adjacent_5p pairing
|
56 |
+
A17-A18 : A-A Ss/Hw adjacent_5p pairing parallel cis one_hbond
|
57 |
+
Residue conformations -------------------------------------------
|
58 |
+
A1 : G C3p_endo anti
|
59 |
+
A2 : G C3p_endo anti
|
60 |
+
A3 : G C3p_endo anti
|
61 |
+
A4 : A C3p_endo anti
|
62 |
+
A5 : U C3p_exo anti
|
63 |
+
A6 : A C3p_endo anti
|
64 |
+
A7 : C C3p_endo anti
|
65 |
+
A8 : U C3p_endo anti
|
66 |
+
A9 : G C3p_endo anti
|
67 |
+
A10 : C C3p_endo anti
|
68 |
+
A11 : U C3p_endo anti
|
69 |
+
A12 : U C3p_exo anti
|
70 |
+
A13 : C C3p_exo anti
|
71 |
+
A14 : G C3p_endo syn
|
72 |
+
A15 : G C3p_endo anti
|
73 |
+
A16 : U C3p_endo anti
|
74 |
+
A17 : A C3p_exo anti
|
75 |
+
A18 : A C3p_endo anti
|
76 |
+
A19 : G C3p_endo anti
|
77 |
+
A20 : U C3p_endo anti
|
78 |
+
A21 : C C3p_endo anti
|
79 |
+
A22 : C C3p_endo anti
|
80 |
+
A23 : C C3p_endo anti
|
81 |
+
Adjacent stackings ----------------------------------------------
|
82 |
+
A2-A3 : adjacent_5p upward
|
83 |
+
A3-A4 : adjacent_5p upward
|
84 |
+
A4-A5 : adjacent_5p upward
|
85 |
+
A6-A7 : adjacent_5p upward
|
86 |
+
A8-A9 : adjacent_5p upward
|
87 |
+
A9-A10 : adjacent_5p upward
|
88 |
+
A10-A11 : adjacent_5p upward
|
89 |
+
A14-A15 : adjacent_5p outward
|
90 |
+
A15-A16 : adjacent_5p upward
|
91 |
+
A16-A17 : adjacent_5p upward
|
92 |
+
A18-A19 : adjacent_5p upward
|
93 |
+
A19-A20 : adjacent_5p upward
|
94 |
+
A20-A21 : adjacent_5p upward
|
95 |
+
Non-Adjacent stackings ------------------------------------------
|
96 |
+
Number of stackings = 13
|
97 |
+
Number of adjacent stackings = 13
|
98 |
+
Number of non adjacent stackings = 0
|
99 |
+
Base-pairs ------------------------------------------------------
|
100 |
+
A2-A22 : G-C Ww/Ww pairing antiparallel cis
|
101 |
+
A3-A21 : G-C Ww/Ww pairing antiparallel cis XIX
|
102 |
+
A4-A20 : A-U Ww/Ww pairing antiparallel cis XX
|
103 |
+
A5-A7 : U-C O2'/Bh pairing
|
104 |
+
A5-A17 : U-A O2'/Bh pairing
|
105 |
+
A7-A19 : C-G Ww/Ww pairing antiparallel cis XIX
|
106 |
+
A8-A17 : U-A Wh/Bs pairing antiparallel trans one_hbond
|
107 |
+
A8-A18 : U-A Ww/Ww pairing antiparallel cis XX
|
108 |
+
A9-A16 : G-U Ww/Ws pairing antiparallel cis XXVIII
|
109 |
+
A10-A15 : C-G Ws/Ww pairing antiparallel cis one_hbond 130
|
110 |
+
A12-A13 : U-C O2P/Bh adjacent_5p pairing
|
111 |
+
Residue conformations -------------------------------------------
|
112 |
+
A1 : G C3p_endo anti
|
113 |
+
A2 : G C3p_endo anti
|
114 |
+
A3 : G C3p_endo anti
|
115 |
+
A4 : A C3p_endo anti
|
116 |
+
A5 : U C3p_exo anti
|
117 |
+
A6 : A C3p_endo anti
|
118 |
+
A7 : C C3p_endo anti
|
119 |
+
A8 : U C3p_endo anti
|
120 |
+
A9 : G C3p_endo anti
|
121 |
+
A10 : C C3p_endo anti
|
122 |
+
A11 : U C3p_endo anti
|
123 |
+
A12 : U C3p_exo anti
|
124 |
+
A13 : C C3p_exo anti
|
125 |
+
A14 : G C3p_endo syn
|
126 |
+
A15 : G C3p_endo anti
|
127 |
+
A16 : U C3p_endo anti
|
128 |
+
A17 : A C3p_exo anti
|
129 |
+
A18 : A C3p_endo anti
|
130 |
+
A19 : G C3p_endo anti
|
131 |
+
A20 : U C3p_endo anti
|
132 |
+
A21 : C C3p_endo anti
|
133 |
+
A22 : C C3p_endo anti
|
134 |
+
A23 : C C3p_endo anti
|
135 |
+
Adjacent stackings ----------------------------------------------
|
136 |
+
A2-A3 : adjacent_5p upward
|
137 |
+
A3-A4 : adjacent_5p upward
|
138 |
+
A4-A5 : adjacent_5p upward
|
139 |
+
A6-A7 : adjacent_5p upward
|
140 |
+
A8-A9 : adjacent_5p upward
|
141 |
+
A9-A10 : adjacent_5p upward
|
142 |
+
A10-A11 : adjacent_5p upward
|
143 |
+
A14-A15 : adjacent_5p outward
|
144 |
+
A16-A17 : adjacent_5p upward
|
145 |
+
A18-A19 : adjacent_5p upward
|
146 |
+
A19-A20 : adjacent_5p upward
|
147 |
+
A20-A21 : adjacent_5p upward
|
148 |
+
Non-Adjacent stackings ------------------------------------------
|
149 |
+
Number of stackings = 12
|
150 |
+
Number of adjacent stackings = 12
|
151 |
+
Number of non adjacent stackings = 0
|
152 |
+
Base-pairs ------------------------------------------------------
|
153 |
+
A1-A23 : G-C Ww/Ww pairing antiparallel cis one_hbond
|
154 |
+
A2-A22 : G-C Ww/Ww pairing antiparallel cis
|
155 |
+
A3-A21 : G-C Ww/Ww pairing antiparallel cis
|
156 |
+
A4-A20 : A-U Ww/Ww pairing antiparallel cis XX
|
157 |
+
A5-A7 : U-C O2'/Bh pairing
|
158 |
+
A5-A17 : U-A O2'/Bh pairing
|
159 |
+
A7-A19 : C-G Ww/Ww pairing antiparallel cis XIX
|
160 |
+
A8-A18 : U-A Ww/Ww pairing antiparallel cis XX
|
161 |
+
A9-A16 : G-U Ww/Ws pairing antiparallel cis XXVIII
|
162 |
+
A10-A15 : C-G Ww/Ww pairing antiparallel cis one_hbond 130
|
163 |
+
A12-A13 : U-C O2P/Bh adjacent_5p pairing
|
164 |
+
A17-A18 : A-A Ss/Hw adjacent_5p pairing parallel cis one_hbond
|
165 |
+
Residue conformations -------------------------------------------
|
166 |
+
A1 : G C3p_endo anti
|
167 |
+
A2 : G C3p_endo anti
|
168 |
+
A3 : G C3p_endo anti
|
169 |
+
A4 : A C3p_endo anti
|
170 |
+
A5 : U C3p_exo anti
|
171 |
+
A6 : A C3p_endo anti
|
172 |
+
A7 : C C3p_endo anti
|
173 |
+
A8 : U C3p_endo anti
|
174 |
+
A9 : G C3p_endo anti
|
175 |
+
A10 : C C3p_endo anti
|
176 |
+
A11 : U C3p_endo anti
|
177 |
+
A12 : U C3p_exo anti
|
178 |
+
A13 : C C3p_exo anti
|
179 |
+
A14 : G C3p_endo syn
|
180 |
+
A15 : G C3p_endo anti
|
181 |
+
A16 : U C3p_endo anti
|
182 |
+
A17 : A C3p_exo anti
|
183 |
+
A18 : A C3p_endo anti
|
184 |
+
A19 : G C3p_endo anti
|
185 |
+
A20 : U C3p_endo anti
|
186 |
+
A21 : C C3p_endo anti
|
187 |
+
A22 : C C3p_endo anti
|
188 |
+
A23 : C C3p_endo anti
|
189 |
+
Adjacent stackings ----------------------------------------------
|
190 |
+
A1-A2 : adjacent_5p upward
|
191 |
+
A2-A3 : adjacent_5p upward
|
192 |
+
A3-A4 : adjacent_5p upward
|
193 |
+
A4-A5 : adjacent_5p upward
|
194 |
+
A6-A7 : adjacent_5p upward
|
195 |
+
A8-A9 : adjacent_5p upward
|
196 |
+
A9-A10 : adjacent_5p upward
|
197 |
+
A10-A11 : adjacent_5p upward
|
198 |
+
A14-A15 : adjacent_5p outward
|
199 |
+
A15-A16 : adjacent_5p upward
|
200 |
+
A16-A17 : adjacent_5p upward
|
201 |
+
A18-A19 : adjacent_5p upward
|
202 |
+
A19-A20 : adjacent_5p upward
|
203 |
+
A20-A21 : adjacent_5p upward
|
204 |
+
A22-A23 : adjacent_5p upward
|
205 |
+
Non-Adjacent stackings ------------------------------------------
|
206 |
+
Number of stackings = 15
|
207 |
+
Number of adjacent stackings = 15
|
208 |
+
Number of non adjacent stackings = 0
|
209 |
+
Base-pairs ------------------------------------------------------
|
210 |
+
A1-A23 : G-C Ww/Ww pairing antiparallel cis one_hbond
|
211 |
+
A2-A22 : G-C Ww/Ww pairing antiparallel cis one_hbond
|
212 |
+
A3-A21 : G-C Ww/Ww pairing antiparallel cis XIX
|
213 |
+
A4-A20 : A-U Ww/Ww pairing antiparallel cis XX
|
214 |
+
A5-A7 : U-C Ws/Hw pairing parallel cis one_hbond 99
|
215 |
+
A8-A18 : U-A Ww/Ww pairing antiparallel cis XX
|
216 |
+
A9-A16 : G-U Ww/Ws pairing antiparallel cis XXVIII
|
217 |
+
A10-A15 : C-G Ww/Ww pairing antiparallel cis one_hbond 130
|
218 |
+
A12-A13 : U-C O2P/Bh adjacent_5p pairing
|
219 |
+
A17-A18 : A-A Ss/Hw adjacent_5p pairing parallel cis one_hbond
|
220 |
+
Residue conformations -------------------------------------------
|
221 |
+
A1 : G C3p_endo anti
|
222 |
+
A2 : G C3p_endo anti
|
223 |
+
A3 : G C3p_endo anti
|
224 |
+
A4 : A C3p_endo anti
|
225 |
+
A5 : U C3p_exo anti
|
226 |
+
A6 : A C3p_endo anti
|
227 |
+
A7 : C C3p_endo anti
|
228 |
+
A8 : U C3p_endo anti
|
229 |
+
A9 : G C3p_endo anti
|
230 |
+
A10 : C C3p_endo anti
|
231 |
+
A11 : U C3p_endo anti
|
232 |
+
A12 : U C3p_exo anti
|
233 |
+
A13 : C C3p_exo anti
|
234 |
+
A14 : G C3p_endo syn
|
235 |
+
A15 : G C3p_endo anti
|
236 |
+
A16 : U C3p_endo anti
|
237 |
+
A17 : A C3p_exo anti
|
238 |
+
A18 : A C3p_endo anti
|
239 |
+
A19 : G C3p_endo anti
|
240 |
+
A20 : U C3p_endo anti
|
241 |
+
A21 : C C3p_endo anti
|
242 |
+
A22 : C C3p_endo anti
|
243 |
+
A23 : C C3p_endo anti
|
244 |
+
Adjacent stackings ----------------------------------------------
|
245 |
+
A1-A2 : adjacent_5p upward
|
246 |
+
A2-A3 : adjacent_5p upward
|
247 |
+
A3-A4 : adjacent_5p upward
|
248 |
+
A4-A5 : adjacent_5p upward
|
249 |
+
A6-A7 : adjacent_5p upward
|
250 |
+
A8-A9 : adjacent_5p upward
|
251 |
+
A9-A10 : adjacent_5p upward
|
252 |
+
A10-A11 : adjacent_5p upward
|
253 |
+
A14-A15 : adjacent_5p outward
|
254 |
+
A15-A16 : adjacent_5p upward
|
255 |
+
A16-A17 : adjacent_5p upward
|
256 |
+
A18-A19 : adjacent_5p upward
|
257 |
+
A19-A20 : adjacent_5p upward
|
258 |
+
A20-A21 : adjacent_5p upward
|
259 |
+
A22-A23 : adjacent_5p upward
|
260 |
+
Non-Adjacent stackings ------------------------------------------
|
261 |
+
Number of stackings = 15
|
262 |
+
Number of adjacent stackings = 15
|
263 |
+
Number of non adjacent stackings = 0
|
264 |
+
Base-pairs ------------------------------------------------------
|
265 |
+
A1-A23 : G-C Ww/Ww pairing antiparallel cis one_hbond
|
266 |
+
A2-A22 : G-C Ww/Ww pairing antiparallel cis XIX
|
267 |
+
A3-A21 : G-C Ww/Ww pairing antiparallel cis XIX
|
268 |
+
A4-A20 : A-U Ww/Ww pairing antiparallel cis XX
|
269 |
+
A5-A7 : U-C Ws/Hw pairing parallel cis one_hbond 99
|
270 |
+
A7-A19 : C-G Ww/Ww pairing antiparallel cis one_hbond
|
271 |
+
A8-A18 : U-A Ww/Ww pairing antiparallel cis XX
|
272 |
+
A9-A16 : G-U Ww/Ws pairing antiparallel cis XXVIII
|
273 |
+
A10-A15 : C-G Ws/Ww pairing antiparallel cis one_hbond 130
|
274 |
+
A12-A13 : U-C O2P/Ww adjacent_5p pairing
|
275 |
+
Residue conformations -------------------------------------------
|
276 |
+
A1 : G C3p_endo anti
|
277 |
+
A2 : G C3p_endo anti
|
278 |
+
A3 : G C3p_endo anti
|
279 |
+
A4 : A C3p_endo anti
|
280 |
+
A5 : U C3p_exo anti
|
281 |
+
A6 : A C3p_endo anti
|
282 |
+
A7 : C C3p_endo anti
|
283 |
+
A8 : U C3p_endo anti
|
284 |
+
A9 : G C3p_endo anti
|
285 |
+
A10 : C C3p_endo anti
|
286 |
+
A11 : U C3p_endo anti
|
287 |
+
A12 : U C3p_exo anti
|
288 |
+
A13 : C C3p_exo anti
|
289 |
+
A14 : G C3p_endo syn
|
290 |
+
A15 : G C3p_endo anti
|
291 |
+
A16 : U C3p_endo anti
|
292 |
+
A17 : A C3p_exo anti
|
293 |
+
A18 : A C3p_endo anti
|
294 |
+
A19 : G C3p_endo anti
|
295 |
+
A20 : U C3p_endo anti
|
296 |
+
A21 : C C3p_endo anti
|
297 |
+
A22 : C C3p_endo anti
|
298 |
+
A23 : C C3p_endo anti
|
299 |
+
Adjacent stackings ----------------------------------------------
|
300 |
+
A2-A3 : adjacent_5p upward
|
301 |
+
A3-A4 : adjacent_5p upward
|
302 |
+
A4-A5 : adjacent_5p upward
|
303 |
+
A6-A7 : adjacent_5p upward
|
304 |
+
A8-A9 : adjacent_5p upward
|
305 |
+
A9-A10 : adjacent_5p upward
|
306 |
+
A10-A11 : adjacent_5p upward
|
307 |
+
A14-A15 : adjacent_5p outward
|
308 |
+
A15-A16 : adjacent_5p upward
|
309 |
+
A16-A17 : adjacent_5p upward
|
310 |
+
A18-A19 : adjacent_5p upward
|
311 |
+
A19-A20 : adjacent_5p upward
|
312 |
+
A20-A21 : adjacent_5p upward
|
313 |
+
Non-Adjacent stackings ------------------------------------------
|
314 |
+
Number of stackings = 13
|
315 |
+
Number of adjacent stackings = 13
|
316 |
+
Number of non adjacent stackings = 0
|
317 |
+
Base-pairs ------------------------------------------------------
|
318 |
+
A1-A23 : G-C Ww/Ww pairing antiparallel cis one_hbond
|
319 |
+
A2-A22 : G-C Ww/Ww pairing antiparallel cis XIX
|
320 |
+
A3-A21 : G-C Ww/Ww pairing antiparallel cis XIX
|
321 |
+
A4-A20 : A-U Ww/Ww pairing antiparallel cis XX
|
322 |
+
A5-A7 : U-C Ws/Hw pairing parallel cis one_hbond 99
|
323 |
+
A8-A18 : U-A Ww/Ww pairing antiparallel cis XX
|
324 |
+
A9-A16 : G-U Ww/Ws pairing antiparallel cis XXVIII
|
325 |
+
A12-A13 : U-C O2P/Bh adjacent_5p pairing
|