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1ac3_MC
ADDED
@@ -0,0 +1,497 @@
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1 |
+
Residue conformations -------------------------------------------
|
2 |
+
A1 : C O4p_endo anti
|
3 |
+
A2 : G C1p_exo anti
|
4 |
+
A3 : C O4p_endo anti
|
5 |
+
A4 : G O4p_endo anti
|
6 |
+
A5 : T O4p_endo anti
|
7 |
+
A6 : TSP
|
8 |
+
A7 : TCP
|
9 |
+
A8 : T O4p_endo anti
|
10 |
+
A9 : G O4p_endo anti
|
11 |
+
A10 : C O4p_endo anti
|
12 |
+
A11 : G O4p_endo anti
|
13 |
+
A12 : C O4p_endo anti
|
14 |
+
B13 : G C4p_exo anti
|
15 |
+
B14 : C C3p_endo anti
|
16 |
+
B15 : G C3p_endo anti
|
17 |
+
B16 : C C3p_endo anti
|
18 |
+
B17 : A C3p_endo anti
|
19 |
+
B18 : A C3p_endo anti
|
20 |
+
B19 : A C3p_endo anti
|
21 |
+
B20 : A C3p_endo anti
|
22 |
+
B21 : C C3p_endo anti
|
23 |
+
B22 : G C3p_endo anti
|
24 |
+
B23 : C C3p_endo anti
|
25 |
+
B24 : G O4p_endo anti
|
26 |
+
Adjacent stackings ----------------------------------------------
|
27 |
+
A2-A3 : adjacent_5p upward
|
28 |
+
A3-A4 : adjacent_5p upward
|
29 |
+
A4-A5 : adjacent_5p upward
|
30 |
+
A9-A10 : adjacent_5p upward
|
31 |
+
A10-A11 : adjacent_5p upward
|
32 |
+
A11-A12 : adjacent_5p upward
|
33 |
+
B13-B14 : adjacent_5p upward
|
34 |
+
B14-B15 : adjacent_5p upward
|
35 |
+
B15-B16 : adjacent_5p upward
|
36 |
+
B16-B17 : adjacent_5p upward
|
37 |
+
B17-B18 : adjacent_5p upward
|
38 |
+
B18-B19 : adjacent_5p upward
|
39 |
+
B19-B20 : adjacent_5p upward
|
40 |
+
B20-B21 : adjacent_5p upward
|
41 |
+
B21-B22 : adjacent_5p upward
|
42 |
+
B22-B23 : adjacent_5p upward
|
43 |
+
B23-B24 : adjacent_5p upward
|
44 |
+
Non-Adjacent stackings ------------------------------------------
|
45 |
+
A2-B24 : outward
|
46 |
+
A4-B22 : outward
|
47 |
+
A9-B17 : outward
|
48 |
+
A11-B15 : outward
|
49 |
+
Number of stackings = 21
|
50 |
+
Number of adjacent stackings = 17
|
51 |
+
Number of non adjacent stackings = 4
|
52 |
+
Base-pairs ------------------------------------------------------
|
53 |
+
A1-B24 : C-G Ww/Ww pairing antiparallel cis XIX
|
54 |
+
A2-B23 : G-C Ww/Ww pairing antiparallel cis XIX
|
55 |
+
A3-B22 : C-G Ww/Ww pairing antiparallel cis XIX
|
56 |
+
A4-B21 : G-C Ww/Ww pairing antiparallel cis XIX
|
57 |
+
A5-B20 : T-A Ww/Ww pairing antiparallel cis
|
58 |
+
A8-B17 : T-A Ww/Ww pairing antiparallel cis
|
59 |
+
A9-B16 : G-C Ww/Ww pairing antiparallel cis XIX
|
60 |
+
A10-B15 : C-G Ww/Ww pairing antiparallel cis XIX
|
61 |
+
A11-B14 : G-C Ww/Ww pairing antiparallel cis XIX
|
62 |
+
A12-B13 : C-G Ww/Ww pairing antiparallel cis XIX
|
63 |
+
Residue conformations -------------------------------------------
|
64 |
+
A1 : C O4p_endo anti
|
65 |
+
A2 : G C1p_exo anti
|
66 |
+
A3 : C O4p_endo anti
|
67 |
+
A4 : G O4p_endo anti
|
68 |
+
A5 : T O4p_endo anti
|
69 |
+
A6 : TSP
|
70 |
+
A7 : TCP
|
71 |
+
A8 : T O4p_endo anti
|
72 |
+
A9 : G O4p_endo anti
|
73 |
+
A10 : C O4p_endo anti
|
74 |
+
A11 : G O4p_endo anti
|
75 |
+
A12 : C O4p_endo anti
|
76 |
+
B13 : G C4p_exo anti
|
77 |
+
B14 : C C3p_endo anti
|
78 |
+
B15 : G C3p_endo anti
|
79 |
+
B16 : C C3p_endo anti
|
80 |
+
B17 : A C3p_endo anti
|
81 |
+
B18 : A C3p_endo anti
|
82 |
+
B19 : A C3p_endo anti
|
83 |
+
B20 : A C3p_endo anti
|
84 |
+
B21 : C C3p_endo anti
|
85 |
+
B22 : G C3p_endo anti
|
86 |
+
B23 : C C3p_endo anti
|
87 |
+
B24 : G C4p_exo anti
|
88 |
+
Adjacent stackings ----------------------------------------------
|
89 |
+
A2-A3 : adjacent_5p upward
|
90 |
+
A3-A4 : adjacent_5p upward
|
91 |
+
A4-A5 : adjacent_5p upward
|
92 |
+
A8-A9 : adjacent_5p upward
|
93 |
+
A9-A10 : adjacent_5p upward
|
94 |
+
A10-A11 : adjacent_5p upward
|
95 |
+
A11-A12 : adjacent_5p upward
|
96 |
+
B13-B14 : adjacent_5p upward
|
97 |
+
B14-B15 : adjacent_5p upward
|
98 |
+
B15-B16 : adjacent_5p upward
|
99 |
+
B16-B17 : adjacent_5p upward
|
100 |
+
B17-B18 : adjacent_5p upward
|
101 |
+
B18-B19 : adjacent_5p upward
|
102 |
+
B19-B20 : adjacent_5p upward
|
103 |
+
B20-B21 : adjacent_5p upward
|
104 |
+
B21-B22 : adjacent_5p upward
|
105 |
+
B22-B23 : adjacent_5p upward
|
106 |
+
Non-Adjacent stackings ------------------------------------------
|
107 |
+
A2-B24 : outward
|
108 |
+
A4-B22 : outward
|
109 |
+
A9-B17 : outward
|
110 |
+
A11-B15 : outward
|
111 |
+
Number of stackings = 21
|
112 |
+
Number of adjacent stackings = 17
|
113 |
+
Number of non adjacent stackings = 4
|
114 |
+
Base-pairs ------------------------------------------------------
|
115 |
+
A1-B24 : C-G Ww/Ww pairing antiparallel cis XIX
|
116 |
+
A2-B23 : G-C Ww/Ww pairing antiparallel cis XIX
|
117 |
+
A3-B22 : C-G Ww/Ww pairing antiparallel cis XIX
|
118 |
+
A4-B21 : G-C Ww/Ww pairing antiparallel cis XIX
|
119 |
+
A5-B20 : T-A Ww/Ww pairing antiparallel cis
|
120 |
+
A8-B17 : T-A Ww/Ww pairing antiparallel cis
|
121 |
+
A9-B16 : G-C Ww/Ww pairing antiparallel cis XIX
|
122 |
+
A10-B15 : C-G Ww/Ww pairing antiparallel cis XIX
|
123 |
+
A11-B14 : G-C Ww/Ww pairing antiparallel cis XIX
|
124 |
+
A12-B13 : C-G Ww/Ww pairing antiparallel cis XIX
|
125 |
+
Residue conformations -------------------------------------------
|
126 |
+
A1 : C O4p_endo anti
|
127 |
+
A2 : G C1p_exo anti
|
128 |
+
A3 : C O4p_endo anti
|
129 |
+
A4 : G O4p_endo anti
|
130 |
+
A5 : T O4p_endo anti
|
131 |
+
A6 : TSP
|
132 |
+
A7 : TCP
|
133 |
+
A8 : T O4p_endo anti
|
134 |
+
A9 : G O4p_endo anti
|
135 |
+
A10 : C O4p_endo anti
|
136 |
+
A11 : G O4p_endo anti
|
137 |
+
A12 : C O4p_endo anti
|
138 |
+
B13 : G C4p_exo anti
|
139 |
+
B14 : C C3p_endo anti
|
140 |
+
B15 : G C3p_endo anti
|
141 |
+
B16 : C C3p_endo anti
|
142 |
+
B17 : A C3p_endo anti
|
143 |
+
B18 : A C3p_endo anti
|
144 |
+
B19 : A C3p_endo anti
|
145 |
+
B20 : A C3p_endo anti
|
146 |
+
B21 : C C3p_endo anti
|
147 |
+
B22 : G C3p_endo anti
|
148 |
+
B23 : C C3p_endo anti
|
149 |
+
B24 : G C4p_exo anti
|
150 |
+
Adjacent stackings ----------------------------------------------
|
151 |
+
A2-A3 : adjacent_5p upward
|
152 |
+
A3-A4 : adjacent_5p upward
|
153 |
+
A4-A5 : adjacent_5p upward
|
154 |
+
A8-A9 : adjacent_5p upward
|
155 |
+
A9-A10 : adjacent_5p upward
|
156 |
+
A10-A11 : adjacent_5p upward
|
157 |
+
A11-A12 : adjacent_5p upward
|
158 |
+
B13-B14 : adjacent_5p upward
|
159 |
+
B14-B15 : adjacent_5p upward
|
160 |
+
B15-B16 : adjacent_5p upward
|
161 |
+
B16-B17 : adjacent_5p upward
|
162 |
+
B17-B18 : adjacent_5p upward
|
163 |
+
B18-B19 : adjacent_5p upward
|
164 |
+
B19-B20 : adjacent_5p upward
|
165 |
+
B20-B21 : adjacent_5p upward
|
166 |
+
B21-B22 : adjacent_5p upward
|
167 |
+
B22-B23 : adjacent_5p upward
|
168 |
+
Non-Adjacent stackings ------------------------------------------
|
169 |
+
A2-B24 : outward
|
170 |
+
A4-B22 : outward
|
171 |
+
A9-B17 : outward
|
172 |
+
A11-B15 : outward
|
173 |
+
Number of stackings = 21
|
174 |
+
Number of adjacent stackings = 17
|
175 |
+
Number of non adjacent stackings = 4
|
176 |
+
Base-pairs ------------------------------------------------------
|
177 |
+
A1-B24 : C-G Ww/Ww pairing antiparallel cis XIX
|
178 |
+
A2-B23 : G-C Ww/Ww pairing antiparallel cis XIX
|
179 |
+
A3-B22 : C-G Ww/Ww pairing antiparallel cis XIX
|
180 |
+
A4-B21 : G-C Ww/Ww pairing antiparallel cis XIX
|
181 |
+
A5-B20 : T-A Ww/Ww pairing antiparallel cis
|
182 |
+
A8-B17 : T-A Ww/Ww pairing antiparallel cis
|
183 |
+
A9-B16 : G-C Ww/Ww pairing antiparallel cis XIX
|
184 |
+
A10-B15 : C-G Ww/Ww pairing antiparallel cis XIX
|
185 |
+
A11-B14 : G-C Ww/Ww pairing antiparallel cis XIX
|
186 |
+
A12-B13 : C-G Ww/Ww pairing antiparallel cis XIX
|
187 |
+
Residue conformations -------------------------------------------
|
188 |
+
A1 : C O4p_endo anti
|
189 |
+
A2 : G C1p_exo anti
|
190 |
+
A3 : C O4p_endo anti
|
191 |
+
A4 : G O4p_endo anti
|
192 |
+
A5 : T O4p_endo anti
|
193 |
+
A6 : TSP
|
194 |
+
A7 : TCP
|
195 |
+
A8 : T O4p_endo anti
|
196 |
+
A9 : G O4p_endo anti
|
197 |
+
A10 : C O4p_endo anti
|
198 |
+
A11 : G O4p_endo anti
|
199 |
+
A12 : C O4p_endo anti
|
200 |
+
B13 : G C4p_exo anti
|
201 |
+
B14 : C C3p_endo anti
|
202 |
+
B15 : G C3p_endo anti
|
203 |
+
B16 : C C3p_endo anti
|
204 |
+
B17 : A C3p_endo anti
|
205 |
+
B18 : A C3p_endo anti
|
206 |
+
B19 : A C3p_endo anti
|
207 |
+
B20 : A C3p_endo anti
|
208 |
+
B21 : C C3p_endo anti
|
209 |
+
B22 : G C3p_endo anti
|
210 |
+
B23 : C C3p_endo anti
|
211 |
+
B24 : G C4p_exo anti
|
212 |
+
Adjacent stackings ----------------------------------------------
|
213 |
+
A2-A3 : adjacent_5p upward
|
214 |
+
A3-A4 : adjacent_5p upward
|
215 |
+
A4-A5 : adjacent_5p upward
|
216 |
+
A8-A9 : adjacent_5p upward
|
217 |
+
A9-A10 : adjacent_5p upward
|
218 |
+
A10-A11 : adjacent_5p upward
|
219 |
+
A11-A12 : adjacent_5p upward
|
220 |
+
B13-B14 : adjacent_5p upward
|
221 |
+
B14-B15 : adjacent_5p upward
|
222 |
+
B15-B16 : adjacent_5p upward
|
223 |
+
B16-B17 : adjacent_5p upward
|
224 |
+
B17-B18 : adjacent_5p upward
|
225 |
+
B18-B19 : adjacent_5p upward
|
226 |
+
B19-B20 : adjacent_5p upward
|
227 |
+
B20-B21 : adjacent_5p upward
|
228 |
+
B21-B22 : adjacent_5p upward
|
229 |
+
B22-B23 : adjacent_5p upward
|
230 |
+
Non-Adjacent stackings ------------------------------------------
|
231 |
+
A2-B24 : outward
|
232 |
+
A4-B22 : outward
|
233 |
+
A9-B17 : outward
|
234 |
+
A11-B15 : outward
|
235 |
+
Number of stackings = 21
|
236 |
+
Number of adjacent stackings = 17
|
237 |
+
Number of non adjacent stackings = 4
|
238 |
+
Base-pairs ------------------------------------------------------
|
239 |
+
A1-B24 : C-G Ww/Ww pairing antiparallel cis XIX
|
240 |
+
A2-B23 : G-C Ww/Ww pairing antiparallel cis XIX
|
241 |
+
A3-B22 : C-G Ww/Ww pairing antiparallel cis XIX
|
242 |
+
A4-B21 : G-C Ww/Ww pairing antiparallel cis XIX
|
243 |
+
A5-B20 : T-A Ww/Ww pairing antiparallel cis
|
244 |
+
A8-B17 : T-A Ww/Ww pairing antiparallel cis
|
245 |
+
A9-B16 : G-C Ww/Ww pairing antiparallel cis XIX
|
246 |
+
A10-B15 : C-G Ww/Ww pairing antiparallel cis XIX
|
247 |
+
A11-B14 : G-C Ww/Ww pairing antiparallel cis XIX
|
248 |
+
A12-B13 : C-G Ww/Ww pairing antiparallel cis XIX
|
249 |
+
Residue conformations -------------------------------------------
|
250 |
+
A1 : C O4p_endo anti
|
251 |
+
A2 : G C1p_exo anti
|
252 |
+
A3 : C O4p_endo anti
|
253 |
+
A4 : G O4p_endo anti
|
254 |
+
A5 : T O4p_endo anti
|
255 |
+
A6 : TSP
|
256 |
+
A7 : TCP
|
257 |
+
A8 : T O4p_endo anti
|
258 |
+
A9 : G O4p_endo anti
|
259 |
+
A10 : C O4p_endo anti
|
260 |
+
A11 : G O4p_endo anti
|
261 |
+
A12 : C O4p_endo anti
|
262 |
+
B13 : G C4p_exo anti
|
263 |
+
B14 : C C3p_endo anti
|
264 |
+
B15 : G C3p_endo anti
|
265 |
+
B16 : C C3p_endo anti
|
266 |
+
B17 : A C3p_endo anti
|
267 |
+
B18 : A C3p_endo anti
|
268 |
+
B19 : A C3p_endo anti
|
269 |
+
B20 : A C3p_endo anti
|
270 |
+
B21 : C C3p_endo anti
|
271 |
+
B22 : G C3p_endo anti
|
272 |
+
B23 : C C3p_endo anti
|
273 |
+
B24 : G C4p_exo anti
|
274 |
+
Adjacent stackings ----------------------------------------------
|
275 |
+
A2-A3 : adjacent_5p upward
|
276 |
+
A3-A4 : adjacent_5p upward
|
277 |
+
A4-A5 : adjacent_5p upward
|
278 |
+
A8-A9 : adjacent_5p upward
|
279 |
+
A9-A10 : adjacent_5p upward
|
280 |
+
A10-A11 : adjacent_5p upward
|
281 |
+
A11-A12 : adjacent_5p upward
|
282 |
+
B13-B14 : adjacent_5p upward
|
283 |
+
B14-B15 : adjacent_5p upward
|
284 |
+
B15-B16 : adjacent_5p upward
|
285 |
+
B16-B17 : adjacent_5p upward
|
286 |
+
B17-B18 : adjacent_5p upward
|
287 |
+
B18-B19 : adjacent_5p upward
|
288 |
+
B19-B20 : adjacent_5p upward
|
289 |
+
B20-B21 : adjacent_5p upward
|
290 |
+
B21-B22 : adjacent_5p upward
|
291 |
+
B22-B23 : adjacent_5p upward
|
292 |
+
Non-Adjacent stackings ------------------------------------------
|
293 |
+
A2-B24 : outward
|
294 |
+
A4-B22 : outward
|
295 |
+
A9-B17 : outward
|
296 |
+
A11-B15 : outward
|
297 |
+
Number of stackings = 21
|
298 |
+
Number of adjacent stackings = 17
|
299 |
+
Number of non adjacent stackings = 4
|
300 |
+
Base-pairs ------------------------------------------------------
|
301 |
+
A1-B24 : C-G Ww/Ww pairing antiparallel cis XIX
|
302 |
+
A2-B23 : G-C Ww/Ww pairing antiparallel cis XIX
|
303 |
+
A3-B22 : C-G Ww/Ww pairing antiparallel cis XIX
|
304 |
+
A4-B21 : G-C Ww/Ww pairing antiparallel cis XIX
|
305 |
+
A5-B20 : T-A Ww/Ww pairing antiparallel cis
|
306 |
+
A8-B17 : T-A Ww/Ww pairing antiparallel cis
|
307 |
+
A9-B16 : G-C Ww/Ww pairing antiparallel cis XIX
|
308 |
+
A10-B15 : C-G Ww/Ww pairing antiparallel cis XIX
|
309 |
+
A11-B14 : G-C Ww/Ww pairing antiparallel cis XIX
|
310 |
+
A12-B13 : C-G Ww/Ww pairing antiparallel cis XIX
|
311 |
+
Residue conformations -------------------------------------------
|
312 |
+
A1 : C O4p_endo anti
|
313 |
+
A2 : G C1p_exo anti
|
314 |
+
A3 : C O4p_endo anti
|
315 |
+
A4 : G O4p_endo anti
|
316 |
+
A5 : T O4p_endo anti
|
317 |
+
A6 : TSP
|
318 |
+
A7 : TCP
|
319 |
+
A8 : T O4p_endo anti
|
320 |
+
A9 : G O4p_endo anti
|
321 |
+
A10 : C O4p_endo anti
|
322 |
+
A11 : G O4p_endo anti
|
323 |
+
A12 : C O4p_endo anti
|
324 |
+
B13 : G C4p_exo anti
|
325 |
+
B14 : C C3p_endo anti
|
326 |
+
B15 : G C3p_endo anti
|
327 |
+
B16 : C C3p_endo anti
|
328 |
+
B17 : A C3p_endo anti
|
329 |
+
B18 : A C3p_endo anti
|
330 |
+
B19 : A C3p_endo anti
|
331 |
+
B20 : A C3p_endo anti
|
332 |
+
B21 : C C3p_endo anti
|
333 |
+
B22 : G C3p_endo anti
|
334 |
+
B23 : C C3p_endo anti
|
335 |
+
B24 : G C4p_exo anti
|
336 |
+
Adjacent stackings ----------------------------------------------
|
337 |
+
A2-A3 : adjacent_5p upward
|
338 |
+
A3-A4 : adjacent_5p upward
|
339 |
+
A4-A5 : adjacent_5p upward
|
340 |
+
A9-A10 : adjacent_5p upward
|
341 |
+
A10-A11 : adjacent_5p upward
|
342 |
+
A11-A12 : adjacent_5p upward
|
343 |
+
B13-B14 : adjacent_5p upward
|
344 |
+
B14-B15 : adjacent_5p upward
|
345 |
+
B15-B16 : adjacent_5p upward
|
346 |
+
B16-B17 : adjacent_5p upward
|
347 |
+
B17-B18 : adjacent_5p upward
|
348 |
+
B18-B19 : adjacent_5p upward
|
349 |
+
B19-B20 : adjacent_5p upward
|
350 |
+
B20-B21 : adjacent_5p upward
|
351 |
+
B21-B22 : adjacent_5p upward
|
352 |
+
B22-B23 : adjacent_5p upward
|
353 |
+
B23-B24 : adjacent_5p upward
|
354 |
+
Non-Adjacent stackings ------------------------------------------
|
355 |
+
A2-B24 : outward
|
356 |
+
A4-B22 : outward
|
357 |
+
A9-B17 : outward
|
358 |
+
A11-B15 : outward
|
359 |
+
Number of stackings = 21
|
360 |
+
Number of adjacent stackings = 17
|
361 |
+
Number of non adjacent stackings = 4
|
362 |
+
Base-pairs ------------------------------------------------------
|
363 |
+
A1-B24 : C-G Ww/Ww pairing antiparallel cis XIX
|
364 |
+
A2-B23 : G-C Ww/Ww pairing antiparallel cis XIX
|
365 |
+
A3-B22 : C-G Ww/Ww pairing antiparallel cis XIX
|
366 |
+
A4-B21 : G-C Ww/Ww pairing antiparallel cis XIX
|
367 |
+
A5-B20 : T-A Ww/Ww pairing antiparallel cis
|
368 |
+
A8-B17 : T-A Ww/Ww pairing antiparallel cis
|
369 |
+
A9-B16 : G-C Ww/Ww pairing antiparallel cis XIX
|
370 |
+
A10-B15 : C-G Ww/Ww pairing antiparallel cis XIX
|
371 |
+
A11-B14 : G-C Ww/Ww pairing antiparallel cis XIX
|
372 |
+
A12-B13 : C-G Ww/Ww pairing antiparallel cis XIX
|
373 |
+
Residue conformations -------------------------------------------
|
374 |
+
A1 : C O4p_endo anti
|
375 |
+
A2 : G C1p_exo anti
|
376 |
+
A3 : C O4p_endo anti
|
377 |
+
A4 : G O4p_endo anti
|
378 |
+
A5 : T O4p_endo anti
|
379 |
+
A6 : TSP
|
380 |
+
A7 : TCP
|
381 |
+
A8 : T O4p_endo anti
|
382 |
+
A9 : G O4p_endo anti
|
383 |
+
A10 : C O4p_endo anti
|
384 |
+
A11 : G O4p_endo anti
|
385 |
+
A12 : C O4p_endo anti
|
386 |
+
B13 : G C4p_exo anti
|
387 |
+
B14 : C C3p_endo anti
|
388 |
+
B15 : G C3p_endo anti
|
389 |
+
B16 : C C3p_endo anti
|
390 |
+
B17 : A C3p_endo anti
|
391 |
+
B18 : A C3p_endo anti
|
392 |
+
B19 : A C3p_endo anti
|
393 |
+
B20 : A C3p_endo anti
|
394 |
+
B21 : C C3p_endo anti
|
395 |
+
B22 : G C3p_endo anti
|
396 |
+
B23 : C C3p_endo anti
|
397 |
+
B24 : G C4p_exo anti
|
398 |
+
Adjacent stackings ----------------------------------------------
|
399 |
+
A1-A2 : adjacent_5p upward
|
400 |
+
A2-A3 : adjacent_5p upward
|
401 |
+
A3-A4 : adjacent_5p upward
|
402 |
+
A4-A5 : adjacent_5p upward
|
403 |
+
A9-A10 : adjacent_5p upward
|
404 |
+
A10-A11 : adjacent_5p upward
|
405 |
+
A11-A12 : adjacent_5p upward
|
406 |
+
B13-B14 : adjacent_5p upward
|
407 |
+
B14-B15 : adjacent_5p upward
|
408 |
+
B15-B16 : adjacent_5p upward
|
409 |
+
B16-B17 : adjacent_5p upward
|
410 |
+
B17-B18 : adjacent_5p upward
|
411 |
+
B18-B19 : adjacent_5p upward
|
412 |
+
B19-B20 : adjacent_5p upward
|
413 |
+
B20-B21 : adjacent_5p upward
|
414 |
+
B21-B22 : adjacent_5p upward
|
415 |
+
B22-B23 : adjacent_5p upward
|
416 |
+
B23-B24 : adjacent_5p upward
|
417 |
+
Non-Adjacent stackings ------------------------------------------
|
418 |
+
A2-B24 : outward
|
419 |
+
A4-B22 : outward
|
420 |
+
A9-B17 : outward
|
421 |
+
A11-B15 : outward
|
422 |
+
Number of stackings = 22
|
423 |
+
Number of adjacent stackings = 18
|
424 |
+
Number of non adjacent stackings = 4
|
425 |
+
Base-pairs ------------------------------------------------------
|
426 |
+
A1-B24 : C-G Ww/Ww pairing antiparallel cis XIX
|
427 |
+
A2-B23 : G-C Ww/Ww pairing antiparallel cis XIX
|
428 |
+
A3-B22 : C-G Ww/Ww pairing antiparallel cis XIX
|
429 |
+
A4-B21 : G-C Ww/Ww pairing antiparallel cis XIX
|
430 |
+
A5-B20 : T-A Ww/Ww pairing antiparallel cis
|
431 |
+
A8-B17 : T-A Ww/Ww pairing antiparallel cis
|
432 |
+
A9-B16 : G-C Ww/Ww pairing antiparallel cis XIX
|
433 |
+
A10-B15 : C-G Ww/Ww pairing antiparallel cis XIX
|
434 |
+
A11-B14 : G-C Ww/Ww pairing antiparallel cis XIX
|
435 |
+
A12-B13 : C-G Ww/Ww pairing antiparallel cis XIX
|
436 |
+
Residue conformations -------------------------------------------
|
437 |
+
A1 : C O4p_endo anti
|
438 |
+
A2 : G C1p_exo anti
|
439 |
+
A3 : C O4p_endo anti
|
440 |
+
A4 : G O4p_endo anti
|
441 |
+
A5 : T O4p_endo anti
|
442 |
+
A6 : TSP
|
443 |
+
A7 : TCP
|
444 |
+
A8 : T O4p_endo anti
|
445 |
+
A9 : G O4p_endo anti
|
446 |
+
A10 : C O4p_endo anti
|
447 |
+
A11 : G O4p_endo anti
|
448 |
+
A12 : C O4p_endo anti
|
449 |
+
B13 : G C4p_exo anti
|
450 |
+
B14 : C C3p_endo anti
|
451 |
+
B15 : G C3p_endo anti
|
452 |
+
B16 : C C3p_endo anti
|
453 |
+
B17 : A C3p_endo anti
|
454 |
+
B18 : A C3p_endo anti
|
455 |
+
B19 : A C3p_endo anti
|
456 |
+
B20 : A C3p_endo anti
|
457 |
+
B21 : C C3p_endo anti
|
458 |
+
B22 : G C3p_endo anti
|
459 |
+
B23 : C C3p_endo anti
|
460 |
+
B24 : G C4p_exo anti
|
461 |
+
Adjacent stackings ----------------------------------------------
|
462 |
+
A2-A3 : adjacent_5p upward
|
463 |
+
A3-A4 : adjacent_5p upward
|
464 |
+
A4-A5 : adjacent_5p upward
|
465 |
+
A9-A10 : adjacent_5p upward
|
466 |
+
A10-A11 : adjacent_5p upward
|
467 |
+
A11-A12 : adjacent_5p upward
|
468 |
+
B13-B14 : adjacent_5p upward
|
469 |
+
B14-B15 : adjacent_5p upward
|
470 |
+
B15-B16 : adjacent_5p upward
|
471 |
+
B16-B17 : adjacent_5p upward
|
472 |
+
B17-B18 : adjacent_5p upward
|
473 |
+
B18-B19 : adjacent_5p upward
|
474 |
+
B19-B20 : adjacent_5p upward
|
475 |
+
B20-B21 : adjacent_5p upward
|
476 |
+
B21-B22 : adjacent_5p upward
|
477 |
+
B22-B23 : adjacent_5p upward
|
478 |
+
B23-B24 : adjacent_5p upward
|
479 |
+
Non-Adjacent stackings ------------------------------------------
|
480 |
+
A2-B24 : outward
|
481 |
+
A4-B22 : outward
|
482 |
+
A9-B17 : outward
|
483 |
+
A11-B15 : outward
|
484 |
+
Number of stackings = 21
|
485 |
+
Number of adjacent stackings = 17
|
486 |
+
Number of non adjacent stackings = 4
|
487 |
+
Base-pairs ------------------------------------------------------
|
488 |
+
A1-B24 : C-G Ww/Ww pairing antiparallel cis XIX
|
489 |
+
A2-B23 : G-C Ww/Ww pairing antiparallel cis XIX
|
490 |
+
A3-B22 : C-G Ww/Ww pairing antiparallel cis XIX
|
491 |
+
A4-B21 : G-C Ww/Ww pairing antiparallel cis XIX
|
492 |
+
A5-B20 : T-A Ww/Ww pairing antiparallel cis
|
493 |
+
A8-B17 : T-A Ww/Ww pairing antiparallel cis
|
494 |
+
A9-B16 : G-C Ww/Ww pairing antiparallel cis XIX
|
495 |
+
A10-B15 : C-G Ww/Ww pairing antiparallel cis XIX
|
496 |
+
A11-B14 : G-C Ww/Ww pairing antiparallel cis XIX
|
497 |
+
A12-B13 : C-G Ww/Ww pairing antiparallel cis XIX
|