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1bj2_MC
ADDED
@@ -0,0 +1,787 @@
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1 |
+
Residue conformations -------------------------------------------
|
2 |
+
A1 : G C3p_endo anti
|
3 |
+
A2 : G C3p_endo anti
|
4 |
+
A3 : C C4p_exo anti
|
5 |
+
A4 : A C3p_endo anti
|
6 |
+
A5 : A C3p_endo anti
|
7 |
+
A6 : C C3p_endo anti
|
8 |
+
A7 : G C3p_endo anti
|
9 |
+
A8 : G C4p_exo anti
|
10 |
+
A9 : A C4p_exo anti
|
11 |
+
A10 : U C3p_endo anti
|
12 |
+
A11 : G C3p_endo anti
|
13 |
+
A12 : G C3p_endo anti
|
14 |
+
A13 : U C4p_exo anti
|
15 |
+
A14 : U C4p_exo anti
|
16 |
+
A15 : C C3p_endo anti
|
17 |
+
A16 : G C3p_endo anti
|
18 |
+
A17 : U C3p_endo anti
|
19 |
+
A18 : U C3p_endo anti
|
20 |
+
A19 : G C3p_endo anti
|
21 |
+
A20 : C C3p_endo anti
|
22 |
+
A21 : C C3p_endo anti
|
23 |
+
B1 : G C3p_endo anti
|
24 |
+
B2 : C C3p_endo anti
|
25 |
+
B3 : A C3p_endo anti
|
26 |
+
B4 : C C3p_endo anti
|
27 |
+
B5 : C C3p_endo anti
|
28 |
+
B6 : G C4p_exo anti
|
29 |
+
B7 : A C3p_endo anti
|
30 |
+
B8 : A C3p_endo anti
|
31 |
+
B9 : C C4p_exo anti
|
32 |
+
B10 : C C4p_exo anti
|
33 |
+
B11 : A C3p_endo anti
|
34 |
+
B12 : U C3p_endo anti
|
35 |
+
B13 : C C3p_endo anti
|
36 |
+
B14 : C C2p_exo anti
|
37 |
+
B15 : G C3p_endo anti
|
38 |
+
B16 : G C3p_endo anti
|
39 |
+
B17 : U C3p_endo anti
|
40 |
+
B18 : G C3p_endo anti
|
41 |
+
B19 : C C3p_endo anti
|
42 |
+
Adjacent stackings ----------------------------------------------
|
43 |
+
A1-A2 : adjacent_5p upward
|
44 |
+
A2-A3 : adjacent_5p upward
|
45 |
+
A3-A4 : adjacent_5p upward
|
46 |
+
A4-A5 : adjacent_5p upward
|
47 |
+
A5-A6 : adjacent_5p upward
|
48 |
+
A8-A9 : adjacent_5p upward
|
49 |
+
A9-A10 : adjacent_5p upward
|
50 |
+
A11-A12 : adjacent_5p upward
|
51 |
+
A14-A15 : adjacent_5p upward
|
52 |
+
A15-A16 : adjacent_5p upward
|
53 |
+
A16-A17 : adjacent_5p upward
|
54 |
+
A19-A20 : adjacent_5p upward
|
55 |
+
A20-A21 : adjacent_5p upward
|
56 |
+
B2-B3 : adjacent_5p upward
|
57 |
+
B3-B4 : adjacent_5p upward
|
58 |
+
B7-B8 : adjacent_5p upward
|
59 |
+
B8-B9 : adjacent_5p upward
|
60 |
+
B9-B10 : adjacent_5p upward
|
61 |
+
B10-B11 : adjacent_5p upward
|
62 |
+
B11-B12 : adjacent_5p upward
|
63 |
+
B15-B16 : adjacent_5p upward
|
64 |
+
B16-B17 : adjacent_5p upward
|
65 |
+
B17-B18 : adjacent_5p upward
|
66 |
+
Non-Adjacent stackings ------------------------------------------
|
67 |
+
A4-A19 : outward
|
68 |
+
A5-A18 : outward
|
69 |
+
A7-A16 : outward
|
70 |
+
A7-B7 : upward
|
71 |
+
A9-B13 : outward
|
72 |
+
B3-B18 : outward
|
73 |
+
B5-B16 : outward
|
74 |
+
B6-B15 : outward
|
75 |
+
Number of stackings = 31
|
76 |
+
Number of adjacent stackings = 23
|
77 |
+
Number of non adjacent stackings = 8
|
78 |
+
Base-pairs ------------------------------------------------------
|
79 |
+
A1-A21 : G-C Ww/Ww pairing antiparallel cis XIX
|
80 |
+
A2-A20 : G-C Ww/Ww pairing antiparallel cis XIX
|
81 |
+
A3-A19 : C-G Ww/Ww pairing antiparallel cis XIX
|
82 |
+
A4-A18 : A-U Ww/Ww pairing antiparallel cis XX
|
83 |
+
A5-A17 : A-U Ww/Ww pairing antiparallel cis XX
|
84 |
+
A6-A16 : C-G Ww/Ww pairing antiparallel cis XIX
|
85 |
+
A7-A15 : G-C Ww/Ww pairing antiparallel cis XIX
|
86 |
+
A8-B13 : G-C Ww/Ww pairing antiparallel cis XIX
|
87 |
+
A9-B12 : A-U Ww/Ww pairing antiparallel cis XX
|
88 |
+
A10-B11 : U-A Ww/Ww pairing antiparallel cis XX
|
89 |
+
A11-B10 : G-C Ww/Ww pairing antiparallel cis XIX
|
90 |
+
A12-B9 : G-C Ww/Ww pairing antiparallel cis XIX
|
91 |
+
A13-B8 : U-A Ww/Ww pairing antiparallel cis XX
|
92 |
+
A14-B7 : U-A Ww/Ww pairing antiparallel cis XX
|
93 |
+
B1-B19 : G-C Ww/Ww pairing antiparallel cis XIX
|
94 |
+
B2-B18 : C-G Ww/Ww pairing antiparallel cis XIX
|
95 |
+
B3-B17 : A-U Ww/Ww pairing antiparallel cis XX
|
96 |
+
B4-B16 : C-G Ww/Ww pairing antiparallel cis XIX
|
97 |
+
B5-B15 : C-G Ww/Ww pairing antiparallel cis XIX
|
98 |
+
B6-B14 : G-C Ww/Ww pairing antiparallel cis XIX
|
99 |
+
Residue conformations -------------------------------------------
|
100 |
+
A1 : G C3p_endo anti
|
101 |
+
A2 : G C3p_endo anti
|
102 |
+
A3 : C C3p_endo anti
|
103 |
+
A4 : A C3p_endo anti
|
104 |
+
A5 : A C3p_endo anti
|
105 |
+
A6 : C C3p_endo anti
|
106 |
+
A7 : G C3p_endo anti
|
107 |
+
A8 : G C3p_endo anti
|
108 |
+
A9 : A C2p_exo anti
|
109 |
+
A10 : U C3p_endo anti
|
110 |
+
A11 : G C3p_endo anti
|
111 |
+
A12 : G C3p_endo anti
|
112 |
+
A13 : U C3p_endo anti
|
113 |
+
A14 : U C3p_endo anti
|
114 |
+
A15 : C C3p_endo anti
|
115 |
+
A16 : G C3p_endo anti
|
116 |
+
A17 : U C3p_endo anti
|
117 |
+
A18 : U C3p_endo anti
|
118 |
+
A19 : G C3p_endo anti
|
119 |
+
A20 : C C3p_endo anti
|
120 |
+
A21 : C C3p_endo anti
|
121 |
+
B1 : G C3p_endo anti
|
122 |
+
B2 : C C3p_endo anti
|
123 |
+
B3 : A C3p_endo anti
|
124 |
+
B4 : C C3p_endo anti
|
125 |
+
B5 : C C3p_endo anti
|
126 |
+
B6 : G C3p_endo anti
|
127 |
+
B7 : A C4p_exo anti
|
128 |
+
B8 : A C4p_exo anti
|
129 |
+
B9 : C C4p_exo anti
|
130 |
+
B10 : C C4p_exo anti
|
131 |
+
B11 : A C3p_endo anti
|
132 |
+
B12 : U C3p_endo anti
|
133 |
+
B13 : C C3p_endo anti
|
134 |
+
B14 : C C4p_exo anti
|
135 |
+
B15 : G C3p_endo anti
|
136 |
+
B16 : G C3p_endo anti
|
137 |
+
B17 : U C3p_endo anti
|
138 |
+
B18 : G C3p_endo anti
|
139 |
+
B19 : C C3p_endo anti
|
140 |
+
Adjacent stackings ----------------------------------------------
|
141 |
+
A1-A2 : adjacent_5p upward
|
142 |
+
A2-A3 : adjacent_5p upward
|
143 |
+
A4-A5 : adjacent_5p upward
|
144 |
+
A5-A6 : adjacent_5p upward
|
145 |
+
A8-A9 : adjacent_5p upward
|
146 |
+
A9-A10 : adjacent_5p upward
|
147 |
+
A10-A11 : adjacent_5p upward
|
148 |
+
A11-A12 : adjacent_5p upward
|
149 |
+
A12-A13 : adjacent_5p upward
|
150 |
+
A16-A17 : adjacent_5p upward
|
151 |
+
A19-A20 : adjacent_5p upward
|
152 |
+
B2-B3 : adjacent_5p upward
|
153 |
+
B3-B4 : adjacent_5p upward
|
154 |
+
B7-B8 : adjacent_5p upward
|
155 |
+
B8-B9 : adjacent_5p upward
|
156 |
+
B9-B10 : adjacent_5p upward
|
157 |
+
B10-B11 : adjacent_5p upward
|
158 |
+
B11-B12 : adjacent_5p upward
|
159 |
+
B15-B16 : adjacent_5p upward
|
160 |
+
B16-B17 : adjacent_5p upward
|
161 |
+
Non-Adjacent stackings ------------------------------------------
|
162 |
+
A4-A19 : outward
|
163 |
+
A5-A18 : outward
|
164 |
+
A7-A16 : outward
|
165 |
+
A7-B7 : upward
|
166 |
+
A8-B6 : downward
|
167 |
+
A8-B14 : outward
|
168 |
+
A9-B13 : outward
|
169 |
+
A14-B8 : outward
|
170 |
+
A15-B7 : outward
|
171 |
+
B5-B16 : outward
|
172 |
+
B6-B15 : outward
|
173 |
+
Number of stackings = 31
|
174 |
+
Number of adjacent stackings = 20
|
175 |
+
Number of non adjacent stackings = 11
|
176 |
+
Base-pairs ------------------------------------------------------
|
177 |
+
A1-A21 : G-C Ww/Ww pairing antiparallel cis XIX
|
178 |
+
A2-A20 : G-C Ww/Ww pairing antiparallel cis XIX
|
179 |
+
A3-A19 : C-G Ww/Ww pairing antiparallel cis XIX
|
180 |
+
A4-A18 : A-U Ww/Ww pairing antiparallel cis XX
|
181 |
+
A5-A17 : A-U Ww/Ww pairing antiparallel cis XX
|
182 |
+
A6-A16 : C-G Ww/Ww pairing antiparallel cis XIX
|
183 |
+
A7-A15 : G-C Ww/Ww pairing antiparallel cis XIX
|
184 |
+
A8-B13 : G-C Ww/Ww pairing antiparallel cis XIX
|
185 |
+
A9-B12 : A-U Ww/Ww pairing antiparallel cis XX
|
186 |
+
A10-B11 : U-A Ww/Ww pairing antiparallel cis XX
|
187 |
+
A11-B10 : G-C Ww/Ww pairing antiparallel cis XIX
|
188 |
+
A12-B9 : G-C Ww/Ww pairing antiparallel cis XIX
|
189 |
+
A13-B8 : U-A Ww/Ww pairing antiparallel cis XX
|
190 |
+
A14-B7 : U-A Ww/Ww pairing antiparallel cis XX
|
191 |
+
B1-B19 : G-C Ww/Ww pairing antiparallel cis XIX
|
192 |
+
B2-B18 : C-G Ww/Ww pairing antiparallel cis XIX
|
193 |
+
B3-B17 : A-U Ww/Ww pairing antiparallel cis XX
|
194 |
+
B4-B16 : C-G Ww/Ww pairing antiparallel cis XIX
|
195 |
+
B5-B15 : C-G Ww/Ww pairing antiparallel cis XIX
|
196 |
+
B6-B14 : G-C Ww/Ww pairing antiparallel cis XIX
|
197 |
+
Residue conformations -------------------------------------------
|
198 |
+
A1 : G C4p_exo anti
|
199 |
+
A2 : G C3p_endo anti
|
200 |
+
A3 : C C3p_endo anti
|
201 |
+
A4 : A C3p_endo anti
|
202 |
+
A5 : A C3p_endo anti
|
203 |
+
A6 : C C4p_exo anti
|
204 |
+
A7 : G C3p_endo anti
|
205 |
+
A8 : G C3p_endo anti
|
206 |
+
A9 : A C3p_endo anti
|
207 |
+
A10 : U C3p_endo anti
|
208 |
+
A11 : G C3p_endo anti
|
209 |
+
A12 : G C3p_endo anti
|
210 |
+
A13 : U C3p_endo anti
|
211 |
+
A14 : U C3p_endo anti
|
212 |
+
A15 : C C4p_exo anti
|
213 |
+
A16 : G C3p_endo anti
|
214 |
+
A17 : U C3p_endo anti
|
215 |
+
A18 : U C3p_endo anti
|
216 |
+
A19 : G C3p_endo anti
|
217 |
+
A20 : C C3p_endo anti
|
218 |
+
A21 : C C3p_endo anti
|
219 |
+
B1 : G C3p_endo anti
|
220 |
+
B2 : C C3p_endo anti
|
221 |
+
B3 : A C3p_endo anti
|
222 |
+
B4 : C C3p_endo anti
|
223 |
+
B5 : C C4p_exo anti
|
224 |
+
B6 : G C3p_endo anti
|
225 |
+
B7 : A C4p_exo anti
|
226 |
+
B8 : A C4p_exo anti
|
227 |
+
B9 : C C3p_endo anti
|
228 |
+
B10 : C C3p_endo anti
|
229 |
+
B11 : A C3p_endo anti
|
230 |
+
B12 : U C3p_endo anti
|
231 |
+
B13 : C C3p_endo anti
|
232 |
+
B14 : C C4p_exo anti
|
233 |
+
B15 : G C3p_endo anti
|
234 |
+
B16 : G C3p_endo anti
|
235 |
+
B17 : U C3p_endo anti
|
236 |
+
B18 : G C3p_endo anti
|
237 |
+
B19 : C C3p_endo anti
|
238 |
+
Adjacent stackings ----------------------------------------------
|
239 |
+
A1-A2 : adjacent_5p upward
|
240 |
+
A2-A3 : adjacent_5p upward
|
241 |
+
A3-A4 : adjacent_5p upward
|
242 |
+
A4-A5 : adjacent_5p upward
|
243 |
+
A5-A6 : adjacent_5p upward
|
244 |
+
A8-A9 : adjacent_5p upward
|
245 |
+
A9-A10 : adjacent_5p upward
|
246 |
+
A10-A11 : adjacent_5p upward
|
247 |
+
A11-A12 : adjacent_5p upward
|
248 |
+
A12-A13 : adjacent_5p upward
|
249 |
+
A16-A17 : adjacent_5p upward
|
250 |
+
A18-A19 : adjacent_5p upward
|
251 |
+
A19-A20 : adjacent_5p upward
|
252 |
+
A20-A21 : adjacent_5p upward
|
253 |
+
B2-B3 : adjacent_5p upward
|
254 |
+
B3-B4 : adjacent_5p upward
|
255 |
+
B7-B8 : adjacent_5p upward
|
256 |
+
B8-B9 : adjacent_5p upward
|
257 |
+
B10-B11 : adjacent_5p upward
|
258 |
+
B11-B12 : adjacent_5p upward
|
259 |
+
B14-B15 : adjacent_5p upward
|
260 |
+
B15-B16 : adjacent_5p upward
|
261 |
+
B16-B17 : adjacent_5p upward
|
262 |
+
B17-B18 : adjacent_5p upward
|
263 |
+
B18-B19 : adjacent_5p upward
|
264 |
+
Non-Adjacent stackings ------------------------------------------
|
265 |
+
A5-A18 : outward
|
266 |
+
A7-A16 : outward
|
267 |
+
A7-B7 : upward
|
268 |
+
A8-B6 : downward
|
269 |
+
A8-B14 : outward
|
270 |
+
A11-B11 : outward
|
271 |
+
A12-B10 : outward
|
272 |
+
A14-B8 : outward
|
273 |
+
B5-B16 : outward
|
274 |
+
B6-B15 : outward
|
275 |
+
Number of stackings = 35
|
276 |
+
Number of adjacent stackings = 25
|
277 |
+
Number of non adjacent stackings = 10
|
278 |
+
Base-pairs ------------------------------------------------------
|
279 |
+
A1-A21 : G-C Ww/Ww pairing antiparallel cis XIX
|
280 |
+
A2-A20 : G-C Ww/Ww pairing antiparallel cis XIX
|
281 |
+
A3-A19 : C-G Ww/Ww pairing antiparallel cis XIX
|
282 |
+
A4-A18 : A-U Ww/Ww pairing antiparallel cis XX
|
283 |
+
A5-A17 : A-U Ww/Ww pairing antiparallel cis XX
|
284 |
+
A6-A16 : C-G Ww/Ww pairing antiparallel cis XIX
|
285 |
+
A7-A15 : G-C Ww/Ww pairing antiparallel cis XIX
|
286 |
+
A8-B13 : G-C Ww/Ww pairing antiparallel cis XIX
|
287 |
+
A9-B12 : A-U Ww/Ww pairing antiparallel cis XX
|
288 |
+
A10-B11 : U-A Ww/Ww pairing antiparallel cis XX
|
289 |
+
A11-B10 : G-C Ww/Ww pairing antiparallel cis XIX
|
290 |
+
A12-B9 : G-C Ww/Ww pairing antiparallel cis XIX
|
291 |
+
A13-B8 : U-A Ww/Ww pairing antiparallel cis XX
|
292 |
+
A14-B7 : U-A Ww/Ww pairing antiparallel cis XX
|
293 |
+
B1-B19 : G-C Ww/Ww pairing antiparallel cis XIX
|
294 |
+
B2-B18 : C-G Ww/Ww pairing antiparallel cis XIX
|
295 |
+
B3-B17 : A-U Ww/Ww pairing antiparallel cis XX
|
296 |
+
B4-B16 : C-G Ww/Ww pairing antiparallel cis XIX
|
297 |
+
B5-B15 : C-G Ww/Ww pairing antiparallel cis XIX
|
298 |
+
B6-B14 : G-C Ww/Ww pairing antiparallel cis XIX
|
299 |
+
Residue conformations -------------------------------------------
|
300 |
+
A1 : G C4p_exo anti
|
301 |
+
A2 : G C3p_endo anti
|
302 |
+
A3 : C C3p_endo anti
|
303 |
+
A4 : A C3p_endo anti
|
304 |
+
A5 : A C3p_endo anti
|
305 |
+
A6 : C C3p_endo anti
|
306 |
+
A7 : G C3p_endo anti
|
307 |
+
A8 : G C4p_exo anti
|
308 |
+
A9 : A C3p_endo anti
|
309 |
+
A10 : U C3p_endo anti
|
310 |
+
A11 : G C3p_endo anti
|
311 |
+
A12 : G C3p_endo anti
|
312 |
+
A13 : U C3p_endo anti
|
313 |
+
A14 : U C3p_endo anti
|
314 |
+
A15 : C C3p_endo anti
|
315 |
+
A16 : G C3p_endo anti
|
316 |
+
A17 : U C3p_endo anti
|
317 |
+
A18 : U C3p_endo anti
|
318 |
+
A19 : G C3p_endo anti
|
319 |
+
A20 : C C3p_endo anti
|
320 |
+
A21 : C C3p_endo anti
|
321 |
+
B1 : G C3p_endo anti
|
322 |
+
B2 : C C3p_endo anti
|
323 |
+
B3 : A C3p_endo anti
|
324 |
+
B4 : C C3p_endo anti
|
325 |
+
B5 : C C3p_endo anti
|
326 |
+
B6 : G C3p_endo anti
|
327 |
+
B7 : A C4p_exo anti
|
328 |
+
B8 : A C4p_exo anti
|
329 |
+
B9 : C C3p_endo anti
|
330 |
+
B10 : C C3p_endo anti
|
331 |
+
B11 : A C3p_endo anti
|
332 |
+
B12 : U C3p_endo anti
|
333 |
+
B13 : C C3p_endo anti
|
334 |
+
B14 : C C3p_endo anti
|
335 |
+
B15 : G C3p_endo anti
|
336 |
+
B16 : G C3p_endo anti
|
337 |
+
B17 : U C3p_endo anti
|
338 |
+
B18 : G C3p_endo anti
|
339 |
+
B19 : C C4p_exo anti
|
340 |
+
Adjacent stackings ----------------------------------------------
|
341 |
+
A1-A2 : adjacent_5p upward
|
342 |
+
A2-A3 : adjacent_5p upward
|
343 |
+
A4-A5 : adjacent_5p upward
|
344 |
+
A5-A6 : adjacent_5p upward
|
345 |
+
A8-A9 : adjacent_5p upward
|
346 |
+
A9-A10 : adjacent_5p upward
|
347 |
+
A10-A11 : adjacent_5p upward
|
348 |
+
A11-A12 : adjacent_5p upward
|
349 |
+
A12-A13 : adjacent_5p upward
|
350 |
+
A14-A15 : adjacent_5p upward
|
351 |
+
A15-A16 : adjacent_5p upward
|
352 |
+
A16-A17 : adjacent_5p upward
|
353 |
+
A19-A20 : adjacent_5p upward
|
354 |
+
B2-B3 : adjacent_5p upward
|
355 |
+
B3-B4 : adjacent_5p upward
|
356 |
+
B7-B8 : adjacent_5p upward
|
357 |
+
B8-B9 : adjacent_5p upward
|
358 |
+
B10-B11 : adjacent_5p upward
|
359 |
+
B11-B12 : adjacent_5p upward
|
360 |
+
B15-B16 : adjacent_5p upward
|
361 |
+
B16-B17 : adjacent_5p upward
|
362 |
+
B17-B18 : adjacent_5p upward
|
363 |
+
B18-B19 : adjacent_5p upward
|
364 |
+
Non-Adjacent stackings ------------------------------------------
|
365 |
+
A2-A21 : outward
|
366 |
+
A4-A19 : outward
|
367 |
+
A7-A16 : outward
|
368 |
+
A7-B7 : upward
|
369 |
+
A8-B6 : downward
|
370 |
+
A8-B14 : outward
|
371 |
+
A11-B11 : outward
|
372 |
+
A12-B10 : outward
|
373 |
+
B6-B15 : outward
|
374 |
+
Number of stackings = 32
|
375 |
+
Number of adjacent stackings = 23
|
376 |
+
Number of non adjacent stackings = 9
|
377 |
+
Base-pairs ------------------------------------------------------
|
378 |
+
A1-A21 : G-C Ww/Ww pairing antiparallel cis XIX
|
379 |
+
A2-A20 : G-C Ww/Ww pairing antiparallel cis XIX
|
380 |
+
A3-A19 : C-G Ww/Ww pairing antiparallel cis XIX
|
381 |
+
A4-A18 : A-U Ww/Ww pairing antiparallel cis XX
|
382 |
+
A5-A17 : A-U Ww/Ww pairing antiparallel cis XX
|
383 |
+
A6-A16 : C-G Ww/Ww pairing antiparallel cis XIX
|
384 |
+
A7-A15 : G-C Ww/Ww pairing antiparallel cis XIX
|
385 |
+
A8-B13 : G-C Ww/Ww pairing antiparallel cis XIX
|
386 |
+
A9-B12 : A-U Ww/Ww pairing antiparallel cis XX
|
387 |
+
A10-B11 : U-A Ww/Ww pairing antiparallel cis XX
|
388 |
+
A11-B10 : G-C Ww/Ww pairing antiparallel cis XIX
|
389 |
+
A12-B9 : G-C Ww/Ww pairing antiparallel cis XIX
|
390 |
+
A13-B8 : U-A Ww/Ww pairing antiparallel cis XX
|
391 |
+
A14-B7 : U-A Ww/Ww pairing antiparallel cis XX
|
392 |
+
B1-B19 : G-C Ww/Ww pairing antiparallel cis XIX
|
393 |
+
B2-B18 : C-G Ww/Ww pairing antiparallel cis XIX
|
394 |
+
B3-B17 : A-U Ww/Ww pairing antiparallel cis XX
|
395 |
+
B4-B16 : C-G Ww/Ww pairing antiparallel cis XIX
|
396 |
+
B5-B15 : C-G Ww/Ww pairing antiparallel cis XIX
|
397 |
+
B6-B14 : G-C Ww/Ww pairing antiparallel cis XIX
|
398 |
+
Residue conformations -------------------------------------------
|
399 |
+
A1 : G C3p_endo anti
|
400 |
+
A2 : G C3p_endo anti
|
401 |
+
A3 : C C3p_endo anti
|
402 |
+
A4 : A C3p_endo anti
|
403 |
+
A5 : A C3p_endo anti
|
404 |
+
A6 : C C3p_endo anti
|
405 |
+
A7 : G C3p_endo anti
|
406 |
+
A8 : G C3p_endo anti
|
407 |
+
A9 : A C4p_exo anti
|
408 |
+
A10 : U C3p_endo anti
|
409 |
+
A11 : G C3p_endo anti
|
410 |
+
A12 : G C3p_endo anti
|
411 |
+
A13 : U C3p_endo anti
|
412 |
+
A14 : U C3p_endo anti
|
413 |
+
A15 : C C3p_endo anti
|
414 |
+
A16 : G C3p_endo anti
|
415 |
+
A17 : U C3p_endo anti
|
416 |
+
A18 : U C3p_endo anti
|
417 |
+
A19 : G C3p_endo anti
|
418 |
+
A20 : C C3p_endo anti
|
419 |
+
A21 : C C3p_endo anti
|
420 |
+
B1 : G C3p_endo anti
|
421 |
+
B2 : C C4p_exo anti
|
422 |
+
B3 : A C3p_endo anti
|
423 |
+
B4 : C C3p_endo anti
|
424 |
+
B5 : C C3p_endo anti
|
425 |
+
B6 : G C3p_endo anti
|
426 |
+
B7 : A C4p_exo anti
|
427 |
+
B8 : A C4p_exo anti
|
428 |
+
B9 : C C4p_exo anti
|
429 |
+
B10 : C C4p_exo anti
|
430 |
+
B11 : A C3p_endo anti
|
431 |
+
B12 : U C3p_endo anti
|
432 |
+
B13 : C C3p_endo anti
|
433 |
+
B14 : C C3p_endo anti
|
434 |
+
B15 : G C3p_endo anti
|
435 |
+
B16 : G C3p_endo anti
|
436 |
+
B17 : U C3p_endo anti
|
437 |
+
B18 : G C3p_endo anti
|
438 |
+
B19 : C C3p_endo anti
|
439 |
+
Adjacent stackings ----------------------------------------------
|
440 |
+
A1-A2 : adjacent_5p upward
|
441 |
+
A2-A3 : adjacent_5p upward
|
442 |
+
A4-A5 : adjacent_5p upward
|
443 |
+
A5-A6 : adjacent_5p upward
|
444 |
+
A8-A9 : adjacent_5p upward
|
445 |
+
A9-A10 : adjacent_5p upward
|
446 |
+
A10-A11 : adjacent_5p upward
|
447 |
+
A11-A12 : adjacent_5p upward
|
448 |
+
A12-A13 : adjacent_5p upward
|
449 |
+
A16-A17 : adjacent_5p upward
|
450 |
+
A18-A19 : adjacent_5p upward
|
451 |
+
A19-A20 : adjacent_5p upward
|
452 |
+
B2-B3 : adjacent_5p upward
|
453 |
+
B3-B4 : adjacent_5p upward
|
454 |
+
B7-B8 : adjacent_5p upward
|
455 |
+
B8-B9 : adjacent_5p upward
|
456 |
+
B9-B10 : adjacent_5p upward
|
457 |
+
B10-B11 : adjacent_5p upward
|
458 |
+
B11-B12 : adjacent_5p upward
|
459 |
+
B15-B16 : adjacent_5p upward
|
460 |
+
B16-B17 : adjacent_5p upward
|
461 |
+
Non-Adjacent stackings ------------------------------------------
|
462 |
+
A2-A21 : outward
|
463 |
+
A4-A19 : outward
|
464 |
+
A5-A18 : outward
|
465 |
+
A7-A16 : outward
|
466 |
+
A7-B7 : upward
|
467 |
+
A8-B6 : downward
|
468 |
+
A11-B11 : outward
|
469 |
+
A12-B10 : outward
|
470 |
+
B3-B18 : outward
|
471 |
+
B5-B16 : outward
|
472 |
+
B6-B15 : outward
|
473 |
+
Number of stackings = 32
|
474 |
+
Number of adjacent stackings = 21
|
475 |
+
Number of non adjacent stackings = 11
|
476 |
+
Base-pairs ------------------------------------------------------
|
477 |
+
A1-A21 : G-C Ww/Ww pairing antiparallel cis XIX
|
478 |
+
A2-A20 : G-C Ww/Ww pairing antiparallel cis XIX
|
479 |
+
A3-A19 : C-G Ww/Ww pairing antiparallel cis XIX
|
480 |
+
A4-A18 : A-U Ww/Ww pairing antiparallel cis XX
|
481 |
+
A5-A17 : A-U Ww/Ww pairing antiparallel cis XX
|
482 |
+
A6-A16 : C-G Ww/Ww pairing antiparallel cis XIX
|
483 |
+
A7-A15 : G-C Ww/Ww pairing antiparallel cis XIX
|
484 |
+
A8-B13 : G-C Ww/Ww pairing antiparallel cis XIX
|
485 |
+
A9-B12 : A-U Ww/Ww pairing antiparallel cis XX
|
486 |
+
A10-B11 : U-A Ww/Ww pairing antiparallel cis XX
|
487 |
+
A11-B10 : G-C Ww/Ww pairing antiparallel cis XIX
|
488 |
+
A12-B9 : G-C Ww/Ww pairing antiparallel cis XIX
|
489 |
+
A13-B8 : U-A Ww/Ww pairing antiparallel cis XX
|
490 |
+
A14-B7 : U-A Ww/Ww pairing antiparallel cis XX
|
491 |
+
B1-B19 : G-C Ww/Ww pairing antiparallel cis XIX
|
492 |
+
B2-B18 : C-G Ww/Ww pairing antiparallel cis XIX
|
493 |
+
B3-B17 : A-U Ww/Ww pairing antiparallel cis XX
|
494 |
+
B4-B16 : C-G Ww/Ww pairing antiparallel cis XIX
|
495 |
+
B5-B15 : C-G Ww/Ww pairing antiparallel cis XIX
|
496 |
+
B6-B14 : G-C Ww/Ww pairing antiparallel cis XIX
|
497 |
+
Residue conformations -------------------------------------------
|
498 |
+
A1 : G C4p_exo anti
|
499 |
+
A2 : G C3p_endo anti
|
500 |
+
A3 : C C3p_endo anti
|
501 |
+
A4 : A C3p_endo anti
|
502 |
+
A5 : A C3p_endo anti
|
503 |
+
A6 : C C3p_endo anti
|
504 |
+
A7 : G C3p_endo anti
|
505 |
+
A8 : G C4p_exo anti
|
506 |
+
A9 : A C2p_exo anti
|
507 |
+
A10 : U C3p_endo anti
|
508 |
+
A11 : G C3p_endo anti
|
509 |
+
A12 : G C3p_endo anti
|
510 |
+
A13 : U C3p_endo anti
|
511 |
+
A14 : U C3p_endo anti
|
512 |
+
A15 : C C4p_exo anti
|
513 |
+
A16 : G C3p_endo anti
|
514 |
+
A17 : U C3p_endo anti
|
515 |
+
A18 : U C3p_endo anti
|
516 |
+
A19 : G C4p_exo anti
|
517 |
+
A20 : C C3p_endo anti
|
518 |
+
A21 : C C3p_endo anti
|
519 |
+
B1 : G C3p_endo anti
|
520 |
+
B2 : C C3p_endo anti
|
521 |
+
B3 : A C3p_endo anti
|
522 |
+
B4 : C C3p_endo anti
|
523 |
+
B5 : C C4p_exo anti
|
524 |
+
B6 : G C3p_endo anti
|
525 |
+
B7 : A C4p_exo anti
|
526 |
+
B8 : A C4p_exo anti
|
527 |
+
B9 : C C3p_endo anti
|
528 |
+
B10 : C C3p_endo anti
|
529 |
+
B11 : A C3p_endo anti
|
530 |
+
B12 : U C3p_endo anti
|
531 |
+
B13 : C C3p_endo anti
|
532 |
+
B14 : C C4p_exo anti
|
533 |
+
B15 : G C3p_endo anti
|
534 |
+
B16 : G C3p_endo anti
|
535 |
+
B17 : U C3p_endo anti
|
536 |
+
B18 : G C3p_endo anti
|
537 |
+
B19 : C C3p_endo anti
|
538 |
+
Adjacent stackings ----------------------------------------------
|
539 |
+
A1-A2 : adjacent_5p upward
|
540 |
+
A2-A3 : adjacent_5p upward
|
541 |
+
A3-A4 : adjacent_5p upward
|
542 |
+
A4-A5 : adjacent_5p upward
|
543 |
+
A5-A6 : adjacent_5p upward
|
544 |
+
A6-A7 : adjacent_5p upward
|
545 |
+
A8-A9 : adjacent_5p upward
|
546 |
+
A9-A10 : adjacent_5p upward
|
547 |
+
A11-A12 : adjacent_5p upward
|
548 |
+
A12-A13 : adjacent_5p upward
|
549 |
+
A16-A17 : adjacent_5p upward
|
550 |
+
A18-A19 : adjacent_5p upward
|
551 |
+
A19-A20 : adjacent_5p upward
|
552 |
+
B2-B3 : adjacent_5p upward
|
553 |
+
B3-B4 : adjacent_5p upward
|
554 |
+
B7-B8 : adjacent_5p upward
|
555 |
+
B8-B9 : adjacent_5p upward
|
556 |
+
B9-B10 : adjacent_5p upward
|
557 |
+
B10-B11 : adjacent_5p upward
|
558 |
+
B11-B12 : adjacent_5p upward
|
559 |
+
B14-B15 : adjacent_5p upward
|
560 |
+
B15-B16 : adjacent_5p upward
|
561 |
+
B16-B17 : adjacent_5p upward
|
562 |
+
Non-Adjacent stackings ------------------------------------------
|
563 |
+
A5-A18 : outward
|
564 |
+
A7-A16 : outward
|
565 |
+
A7-B7 : upward
|
566 |
+
A8-B6 : downward
|
567 |
+
A8-B14 : outward
|
568 |
+
A11-B11 : outward
|
569 |
+
B6-B15 : outward
|
570 |
+
Number of stackings = 30
|
571 |
+
Number of adjacent stackings = 23
|
572 |
+
Number of non adjacent stackings = 7
|
573 |
+
Base-pairs ------------------------------------------------------
|
574 |
+
A1-A21 : G-C Ww/Ww pairing antiparallel cis XIX
|
575 |
+
A2-A20 : G-C Ww/Ww pairing antiparallel cis XIX
|
576 |
+
A3-A19 : C-G Ww/Ww pairing antiparallel cis XIX
|
577 |
+
A4-A18 : A-U Ww/Ww pairing antiparallel cis XX
|
578 |
+
A5-A17 : A-U Ww/Ww pairing antiparallel cis XX
|
579 |
+
A6-A16 : C-G Ww/Ww pairing antiparallel cis XIX
|
580 |
+
A7-A15 : G-C Ww/Ww pairing antiparallel cis XIX
|
581 |
+
A8-B13 : G-C Ww/Ww pairing antiparallel cis XIX
|
582 |
+
A9-B12 : A-U Ww/Ww pairing antiparallel cis XX
|
583 |
+
A10-B11 : U-A Ww/Ww pairing antiparallel cis XX
|
584 |
+
A11-B10 : G-C Ww/Ww pairing antiparallel cis XIX
|
585 |
+
A12-B9 : G-C Ww/Ww pairing antiparallel cis XIX
|
586 |
+
A13-B8 : U-A Ww/Ww pairing antiparallel cis XX
|
587 |
+
A14-B7 : U-A Ww/Ww pairing antiparallel cis XX
|
588 |
+
B1-B19 : G-C Ww/Ww pairing antiparallel cis XIX
|
589 |
+
B2-B18 : C-G Ww/Ww pairing antiparallel cis XIX
|
590 |
+
B3-B17 : A-U Ww/Ww pairing antiparallel cis XX
|
591 |
+
B4-B16 : C-G Ww/Ww pairing antiparallel cis XIX
|
592 |
+
B5-B15 : C-G Ww/Ww pairing antiparallel cis XIX
|
593 |
+
B6-B14 : G-C Ww/Ww pairing antiparallel cis XIX
|
594 |
+
Residue conformations -------------------------------------------
|
595 |
+
A1 : G C3p_endo anti
|
596 |
+
A2 : G C3p_endo anti
|
597 |
+
A3 : C C3p_endo anti
|
598 |
+
A4 : A C3p_endo anti
|
599 |
+
A5 : A C3p_endo anti
|
600 |
+
A6 : C C3p_endo anti
|
601 |
+
A7 : G C3p_endo anti
|
602 |
+
A8 : G C3p_endo anti
|
603 |
+
A9 : A C3p_endo anti
|
604 |
+
A10 : U C3p_endo anti
|
605 |
+
A11 : G C3p_endo anti
|
606 |
+
A12 : G C3p_endo anti
|
607 |
+
A13 : U C4p_exo anti
|
608 |
+
A14 : U C4p_exo anti
|
609 |
+
A15 : C C4p_exo anti
|
610 |
+
A16 : G C3p_endo anti
|
611 |
+
A17 : U C3p_endo anti
|
612 |
+
A18 : U C3p_endo anti
|
613 |
+
A19 : G C3p_endo anti
|
614 |
+
A20 : C C3p_endo anti
|
615 |
+
A21 : C C3p_endo anti
|
616 |
+
B1 : G C3p_endo anti
|
617 |
+
B2 : C C3p_endo anti
|
618 |
+
B3 : A C3p_endo anti
|
619 |
+
B4 : C C3p_endo anti
|
620 |
+
B5 : C C4p_exo anti
|
621 |
+
B6 : G C4p_exo anti
|
622 |
+
B7 : A C4p_exo anti
|
623 |
+
B8 : A C3p_endo anti
|
624 |
+
B9 : C C3p_endo anti
|
625 |
+
B10 : C C3p_endo anti
|
626 |
+
B11 : A C3p_endo anti
|
627 |
+
B12 : U C3p_endo anti
|
628 |
+
B13 : C C2p_exo anti
|
629 |
+
B14 : C C3p_endo anti
|
630 |
+
B15 : G C3p_endo anti
|
631 |
+
B16 : G C3p_endo anti
|
632 |
+
B17 : U C3p_endo anti
|
633 |
+
B18 : G C3p_endo anti
|
634 |
+
B19 : C C3p_endo anti
|
635 |
+
Adjacent stackings ----------------------------------------------
|
636 |
+
A1-A2 : adjacent_5p upward
|
637 |
+
A2-A3 : adjacent_5p upward
|
638 |
+
A4-A5 : adjacent_5p upward
|
639 |
+
A5-A6 : adjacent_5p upward
|
640 |
+
A8-A9 : adjacent_5p upward
|
641 |
+
A9-A10 : adjacent_5p upward
|
642 |
+
A11-A12 : adjacent_5p upward
|
643 |
+
A12-A13 : adjacent_5p upward
|
644 |
+
A16-A17 : adjacent_5p upward
|
645 |
+
A19-A20 : adjacent_5p upward
|
646 |
+
B1-B2 : adjacent_5p upward
|
647 |
+
B2-B3 : adjacent_5p upward
|
648 |
+
B3-B4 : adjacent_5p upward
|
649 |
+
B5-B6 : adjacent_5p upward
|
650 |
+
B7-B8 : adjacent_5p upward
|
651 |
+
B8-B9 : adjacent_5p upward
|
652 |
+
B10-B11 : adjacent_5p upward
|
653 |
+
B11-B12 : adjacent_5p upward
|
654 |
+
B15-B16 : adjacent_5p upward
|
655 |
+
B16-B17 : adjacent_5p upward
|
656 |
+
B18-B19 : adjacent_5p upward
|
657 |
+
Non-Adjacent stackings ------------------------------------------
|
658 |
+
A2-A21 : outward
|
659 |
+
A4-A19 : outward
|
660 |
+
A7-A16 : outward
|
661 |
+
A8-B6 : downward
|
662 |
+
A9-B13 : outward
|
663 |
+
A11-B11 : outward
|
664 |
+
B3-B18 : outward
|
665 |
+
Number of stackings = 28
|
666 |
+
Number of adjacent stackings = 21
|
667 |
+
Number of non adjacent stackings = 7
|
668 |
+
Base-pairs ------------------------------------------------------
|
669 |
+
A1-A21 : G-C Ww/Ww pairing antiparallel cis XIX
|
670 |
+
A2-A20 : G-C Ww/Ww pairing antiparallel cis XIX
|
671 |
+
A3-A19 : C-G Ww/Ww pairing antiparallel cis XIX
|
672 |
+
A4-A18 : A-U Ww/Ww pairing antiparallel cis XX
|
673 |
+
A5-A17 : A-U Ww/Ww pairing antiparallel cis XX
|
674 |
+
A6-A16 : C-G Ww/Ww pairing antiparallel cis XIX
|
675 |
+
A7-A15 : G-C Ww/Ww pairing antiparallel cis XIX
|
676 |
+
A7-B7 : G-A Bs/O2' pairing
|
677 |
+
A8-B13 : G-C Ww/Ww pairing antiparallel cis XIX
|
678 |
+
A9-B7 : A-A O2P/Hh pairing
|
679 |
+
A9-B12 : A-U Ww/Ww pairing antiparallel cis XX
|
680 |
+
A10-B11 : U-A Ww/Ww pairing antiparallel cis XX
|
681 |
+
A11-B10 : G-C Ww/Ww pairing antiparallel cis XIX
|
682 |
+
A12-B9 : G-C Ww/Ww pairing antiparallel cis XIX
|
683 |
+
A13-B8 : U-A Ww/Ww pairing antiparallel cis XX
|
684 |
+
A14-B7 : U-A Ww/Ww pairing antiparallel cis XX
|
685 |
+
B1-B19 : G-C Ww/Ww pairing antiparallel cis XIX
|
686 |
+
B2-B18 : C-G Ww/Ww pairing antiparallel cis XIX
|
687 |
+
B3-B17 : A-U Ww/Ww pairing antiparallel cis XX
|
688 |
+
B4-B16 : C-G Ww/Ww pairing antiparallel cis XIX
|
689 |
+
B5-B15 : C-G Ww/Ww pairing antiparallel cis XIX
|
690 |
+
B6-B14 : G-C Ww/Ww pairing antiparallel cis XIX
|
691 |
+
Residue conformations -------------------------------------------
|
692 |
+
A1 : G C3p_endo anti
|
693 |
+
A2 : G C3p_endo anti
|
694 |
+
A3 : C C4p_exo anti
|
695 |
+
A4 : A C3p_endo anti
|
696 |
+
A5 : A C3p_endo anti
|
697 |
+
A6 : C C4p_exo anti
|
698 |
+
A7 : G C4p_exo anti
|
699 |
+
A8 : G C3p_endo anti
|
700 |
+
A9 : A C3p_endo anti
|
701 |
+
A10 : U C3p_endo anti
|
702 |
+
A11 : G C3p_endo anti
|
703 |
+
A12 : G C3p_endo anti
|
704 |
+
A13 : U C3p_endo anti
|
705 |
+
A14 : U C4p_exo anti
|
706 |
+
A15 : C C4p_exo anti
|
707 |
+
A16 : G C3p_endo anti
|
708 |
+
A17 : U C3p_endo anti
|
709 |
+
A18 : U C3p_endo anti
|
710 |
+
A19 : G C3p_endo anti
|
711 |
+
A20 : C C3p_endo anti
|
712 |
+
A21 : C C3p_endo anti
|
713 |
+
B1 : G C3p_endo anti
|
714 |
+
B2 : C C3p_endo anti
|
715 |
+
B3 : A C3p_endo anti
|
716 |
+
B4 : C C3p_endo anti
|
717 |
+
B5 : C C3p_endo anti
|
718 |
+
B6 : G C3p_endo anti
|
719 |
+
B7 : A C4p_exo anti
|
720 |
+
B8 : A C4p_exo anti
|
721 |
+
B9 : C C3p_endo anti
|
722 |
+
B10 : C C4p_exo anti
|
723 |
+
B11 : A C3p_endo anti
|
724 |
+
B12 : U C3p_endo anti
|
725 |
+
B13 : C C3p_endo anti
|
726 |
+
B14 : C C3p_endo anti
|
727 |
+
B15 : G C3p_endo anti
|
728 |
+
B16 : G C3p_endo anti
|
729 |
+
B17 : U C3p_endo anti
|
730 |
+
B18 : G C3p_endo anti
|
731 |
+
B19 : C C3p_endo anti
|
732 |
+
Adjacent stackings ----------------------------------------------
|
733 |
+
A1-A2 : adjacent_5p upward
|
734 |
+
A2-A3 : adjacent_5p upward
|
735 |
+
A3-A4 : adjacent_5p upward
|
736 |
+
A4-A5 : adjacent_5p upward
|
737 |
+
A5-A6 : adjacent_5p upward
|
738 |
+
A8-A9 : adjacent_5p upward
|
739 |
+
A9-A10 : adjacent_5p upward
|
740 |
+
A10-A11 : adjacent_5p upward
|
741 |
+
A11-A12 : adjacent_5p upward
|
742 |
+
A12-A13 : adjacent_5p upward
|
743 |
+
A14-A15 : adjacent_5p upward
|
744 |
+
A16-A17 : adjacent_5p upward
|
745 |
+
A19-A20 : adjacent_5p upward
|
746 |
+
B2-B3 : adjacent_5p upward
|
747 |
+
B3-B4 : adjacent_5p upward
|
748 |
+
B5-B6 : adjacent_5p upward
|
749 |
+
B7-B8 : adjacent_5p upward
|
750 |
+
B8-B9 : adjacent_5p upward
|
751 |
+
B10-B11 : adjacent_5p upward
|
752 |
+
B11-B12 : adjacent_5p upward
|
753 |
+
B14-B15 : adjacent_5p upward
|
754 |
+
B15-B16 : adjacent_5p upward
|
755 |
+
B16-B17 : adjacent_5p upward
|
756 |
+
Non-Adjacent stackings ------------------------------------------
|
757 |
+
A5-A18 : outward
|
758 |
+
A7-A16 : outward
|
759 |
+
A7-B7 : upward
|
760 |
+
A8-B6 : downward
|
761 |
+
A9-B13 : outward
|
762 |
+
A12-B10 : outward
|
763 |
+
B5-B16 : outward
|
764 |
+
Number of stackings = 30
|
765 |
+
Number of adjacent stackings = 23
|
766 |
+
Number of non adjacent stackings = 7
|
767 |
+
Base-pairs ------------------------------------------------------
|
768 |
+
A1-A21 : G-C Ww/Ww pairing antiparallel cis XIX
|
769 |
+
A2-A20 : G-C Ww/Ww pairing antiparallel cis XIX
|
770 |
+
A3-A19 : C-G Ww/Ww pairing antiparallel cis XIX
|
771 |
+
A4-A18 : A-U Ww/Ww pairing antiparallel cis XX
|
772 |
+
A5-A17 : A-U Ww/Ww pairing antiparallel cis XX
|
773 |
+
A6-A16 : C-G Ww/Ww pairing antiparallel cis XIX
|
774 |
+
A7-A15 : G-C Ww/Ww pairing antiparallel cis XIX
|
775 |
+
A8-B13 : G-C Ww/Ww pairing antiparallel cis XIX
|
776 |
+
A9-B12 : A-U Ww/Ww pairing antiparallel cis XX
|
777 |
+
A10-B11 : U-A Ww/Ww pairing antiparallel cis XX
|
778 |
+
A11-B10 : G-C Ww/Ww pairing antiparallel cis XIX
|
779 |
+
A12-B9 : G-C Ww/Ww pairing antiparallel cis XIX
|
780 |
+
A13-B8 : U-A Ww/Ww pairing antiparallel cis XX
|
781 |
+
A14-B7 : U-A Ww/Ww pairing antiparallel cis XX
|
782 |
+
B1-B19 : G-C Ww/Ww pairing antiparallel cis XIX
|
783 |
+
B2-B18 : C-G Ww/Ww pairing antiparallel cis XIX
|
784 |
+
B3-B17 : A-U Ww/Ww pairing antiparallel cis XX
|
785 |
+
B4-B16 : C-G Ww/Ww pairing antiparallel cis XIX
|
786 |
+
B5-B15 : C-G Ww/Ww pairing antiparallel cis XIX
|
787 |
+
B6-B14 : G-C Ww/Ww pairing antiparallel cis XIX
|