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1biv_MC
ADDED
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1 |
+
Residue conformations -------------------------------------------
|
2 |
+
A4 : G C2p_exo anti
|
3 |
+
A5 : G C3p_endo anti
|
4 |
+
A6 : C C3p_endo anti
|
5 |
+
A7 : U C3p_endo anti
|
6 |
+
A8 : C C3p_endo anti
|
7 |
+
A9 : G C3p_endo anti
|
8 |
+
A10 : U C2p_endo anti
|
9 |
+
A11 : G C2p_endo anti
|
10 |
+
A12 : U C2p_endo anti
|
11 |
+
A13 : A C3p_endo anti
|
12 |
+
A14 : G C3p_endo anti
|
13 |
+
A15 : C C3p_endo anti
|
14 |
+
A16 : U C3p_endo anti
|
15 |
+
A17 : C C2p_endo syn
|
16 |
+
A18 : A C2p_endo anti
|
17 |
+
A19 : U C4p_exo anti
|
18 |
+
A20 : U C2p_endo anti
|
19 |
+
A21 : A C2p_endo anti
|
20 |
+
A22 : G C3p_endo anti
|
21 |
+
A23 : C C3p_endo anti
|
22 |
+
A24 : U C3p_endo anti
|
23 |
+
A25 : C C3p_endo anti
|
24 |
+
A26 : C C3p_endo anti
|
25 |
+
A27 : G C3p_endo anti
|
26 |
+
A28 : A C2p_exo anti
|
27 |
+
A29 : G C3p_endo anti
|
28 |
+
A30 : C C3p_endo anti
|
29 |
+
A31 : C C2p_exo anti
|
30 |
+
B65 : SER
|
31 |
+
B66 : GLY
|
32 |
+
B67 : PRO
|
33 |
+
B68 : ARG
|
34 |
+
B69 : PRO
|
35 |
+
B70 : ARG
|
36 |
+
B71 : GLY
|
37 |
+
B72 : THR
|
38 |
+
B73 : ARG
|
39 |
+
B74 : GLY
|
40 |
+
B75 : LYS
|
41 |
+
B76 : GLY
|
42 |
+
B77 : ARG
|
43 |
+
B78 : ARG
|
44 |
+
B79 : ILE
|
45 |
+
B80 : ARG
|
46 |
+
B81 : ARG
|
47 |
+
Adjacent stackings ----------------------------------------------
|
48 |
+
A5-A6 : adjacent_5p upward
|
49 |
+
A10-A11 : adjacent_5p downward
|
50 |
+
A13-A14 : adjacent_5p upward
|
51 |
+
A14-A15 : adjacent_5p upward
|
52 |
+
A15-A16 : adjacent_5p upward
|
53 |
+
A18-A19 : adjacent_5p upward
|
54 |
+
A21-A22 : adjacent_5p upward
|
55 |
+
A22-A23 : adjacent_5p upward
|
56 |
+
A23-A24 : adjacent_5p upward
|
57 |
+
A25-A26 : adjacent_5p upward
|
58 |
+
A26-A27 : adjacent_5p upward
|
59 |
+
A27-A28 : adjacent_5p upward
|
60 |
+
A28-A29 : adjacent_5p upward
|
61 |
+
A29-A30 : adjacent_5p upward
|
62 |
+
Non-Adjacent stackings ------------------------------------------
|
63 |
+
A5-A31 : outward
|
64 |
+
A9-A27 : outward
|
65 |
+
A11-A13 : upward
|
66 |
+
Number of stackings = 17
|
67 |
+
Number of adjacent stackings = 14
|
68 |
+
Number of non adjacent stackings = 3
|
69 |
+
Base-pairs ------------------------------------------------------
|
70 |
+
A4-A31 : G-C Ww/Ww pairing antiparallel cis XIX
|
71 |
+
A5-A30 : G-C Ww/Ww pairing antiparallel cis XIX
|
72 |
+
A6-A29 : C-G Ww/Ww pairing antiparallel cis XIX
|
73 |
+
A7-A28 : U-A Ww/Ww pairing antiparallel cis XX
|
74 |
+
A8-A27 : C-G Ww/Ww pairing antiparallel cis XIX
|
75 |
+
A9-A26 : G-C Ww/Ww pairing antiparallel cis XIX
|
76 |
+
A9-B77 : G-ARG pairing one_hbond
|
77 |
+
A10-A13 : U-A Ww/Hh pairing parallel cis XXIII
|
78 |
+
A11-A25 : G-C Ww/Ww pairing antiparallel cis XIX
|
79 |
+
A11-B73 : G-ARG pairing one_hbond
|
80 |
+
A13-A24 : A-U Ww/Ww pairing antiparallel cis XX
|
81 |
+
A14-A23 : G-C Ww/Ww pairing antiparallel cis XIX
|
82 |
+
A14-B70 : G-ARG pairing
|
83 |
+
A15-A22 : C-G Ww/Ww pairing antiparallel cis XIX
|
84 |
+
A16-A21 : U-A Ww/Ww pairing antiparallel cis XX
|
85 |
+
Residue conformations -------------------------------------------
|
86 |
+
A4 : G C2p_exo anti
|
87 |
+
A5 : G C3p_endo anti
|
88 |
+
A6 : C C3p_endo anti
|
89 |
+
A7 : U C3p_endo anti
|
90 |
+
A8 : C C3p_endo anti
|
91 |
+
A9 : G C3p_endo anti
|
92 |
+
A10 : U C2p_endo anti
|
93 |
+
A11 : G C2p_endo anti
|
94 |
+
A12 : U C2p_endo anti
|
95 |
+
A13 : A C3p_endo anti
|
96 |
+
A14 : G C3p_endo anti
|
97 |
+
A15 : C C3p_endo anti
|
98 |
+
A16 : U C3p_endo anti
|
99 |
+
A17 : C C3p_exo anti
|
100 |
+
A18 : A C1p_exo anti
|
101 |
+
A19 : U C4p_exo anti
|
102 |
+
A20 : U C2p_endo anti
|
103 |
+
A21 : A C2p_endo anti
|
104 |
+
A22 : G C3p_endo anti
|
105 |
+
A23 : C C3p_endo anti
|
106 |
+
A24 : U C3p_endo anti
|
107 |
+
A25 : C C3p_endo anti
|
108 |
+
A26 : C C3p_endo anti
|
109 |
+
A27 : G C3p_endo anti
|
110 |
+
A28 : A C3p_endo anti
|
111 |
+
A29 : G C4p_exo anti
|
112 |
+
A30 : C C3p_endo anti
|
113 |
+
A31 : C C3p_endo anti
|
114 |
+
B65 : SER
|
115 |
+
B66 : GLY
|
116 |
+
B67 : PRO
|
117 |
+
B68 : ARG
|
118 |
+
B69 : PRO
|
119 |
+
B70 : ARG
|
120 |
+
B71 : GLY
|
121 |
+
B72 : THR
|
122 |
+
B73 : ARG
|
123 |
+
B74 : GLY
|
124 |
+
B75 : LYS
|
125 |
+
B76 : GLY
|
126 |
+
B77 : ARG
|
127 |
+
B78 : ARG
|
128 |
+
B79 : ILE
|
129 |
+
B80 : ARG
|
130 |
+
B81 : ARG
|
131 |
+
Adjacent stackings ----------------------------------------------
|
132 |
+
A4-A5 : adjacent_5p upward
|
133 |
+
A5-A6 : adjacent_5p upward
|
134 |
+
A8-A9 : adjacent_5p upward
|
135 |
+
A10-A11 : adjacent_5p downward
|
136 |
+
A13-A14 : adjacent_5p upward
|
137 |
+
A14-A15 : adjacent_5p upward
|
138 |
+
A18-A19 : adjacent_5p upward
|
139 |
+
A21-A22 : adjacent_5p upward
|
140 |
+
A22-A23 : adjacent_5p upward
|
141 |
+
A23-A24 : adjacent_5p upward
|
142 |
+
A25-A26 : adjacent_5p upward
|
143 |
+
A26-A27 : adjacent_5p upward
|
144 |
+
A27-A28 : adjacent_5p upward
|
145 |
+
A28-A29 : adjacent_5p upward
|
146 |
+
A29-A30 : adjacent_5p upward
|
147 |
+
A30-A31 : adjacent_5p upward
|
148 |
+
Non-Adjacent stackings ------------------------------------------
|
149 |
+
A8-A28 : outward
|
150 |
+
A9-A27 : outward
|
151 |
+
A14-A24 : outward
|
152 |
+
Number of stackings = 19
|
153 |
+
Number of adjacent stackings = 16
|
154 |
+
Number of non adjacent stackings = 3
|
155 |
+
Base-pairs ------------------------------------------------------
|
156 |
+
A4-A31 : G-C Ww/Ww pairing antiparallel cis XIX
|
157 |
+
A5-A30 : G-C Ww/Ww pairing antiparallel cis XIX
|
158 |
+
A6-A29 : C-G Ww/Ww pairing antiparallel cis XIX
|
159 |
+
A7-A28 : U-A Ww/Ww pairing antiparallel cis XX
|
160 |
+
A8-A27 : C-G Ww/Ww pairing antiparallel cis
|
161 |
+
A9-A26 : G-C Ww/Ww pairing antiparallel cis XIX
|
162 |
+
A11-A25 : G-C Ww/Ww pairing antiparallel cis XIX
|
163 |
+
A12-A26 : U-C Ww/O2' pairing
|
164 |
+
A13-A24 : A-U Ww/Ww pairing antiparallel cis XX
|
165 |
+
A14-A23 : G-C Ww/Ww pairing antiparallel cis XIX
|
166 |
+
A14-B70 : G-ARG pairing one_hbond
|
167 |
+
A15-A22 : C-G Ww/Ww pairing antiparallel cis XIX
|
168 |
+
A16-A21 : U-A Ww/Ww pairing antiparallel cis XX
|
169 |
+
A17-A18 : C-A O2'/Hh adjacent_5p pairing
|
170 |
+
Residue conformations -------------------------------------------
|
171 |
+
A4 : G C3p_endo anti
|
172 |
+
A5 : G C3p_endo anti
|
173 |
+
A6 : C C3p_endo anti
|
174 |
+
A7 : U C3p_endo anti
|
175 |
+
A8 : C C3p_endo anti
|
176 |
+
A9 : G C4p_exo anti
|
177 |
+
A10 : U C2p_endo anti
|
178 |
+
A11 : G C2p_endo anti
|
179 |
+
A12 : U C2p_endo anti
|
180 |
+
A13 : A C3p_endo anti
|
181 |
+
A14 : G C3p_endo anti
|
182 |
+
A15 : C C3p_endo anti
|
183 |
+
A16 : U C3p_endo anti
|
184 |
+
A17 : C C2p_endo anti
|
185 |
+
A18 : A C2p_endo anti
|
186 |
+
A19 : U C4p_exo anti
|
187 |
+
A20 : U C2p_endo anti
|
188 |
+
A21 : A C2p_endo anti
|
189 |
+
A22 : G C3p_endo anti
|
190 |
+
A23 : C C3p_endo anti
|
191 |
+
A24 : U C3p_endo anti
|
192 |
+
A25 : C C3p_endo anti
|
193 |
+
A26 : C C3p_endo anti
|
194 |
+
A27 : G C3p_endo anti
|
195 |
+
A28 : A C4p_exo anti
|
196 |
+
A29 : G C3p_endo anti
|
197 |
+
A30 : C C3p_endo anti
|
198 |
+
A31 : C C2p_exo anti
|
199 |
+
B65 : SER
|
200 |
+
B66 : GLY
|
201 |
+
B67 : PRO
|
202 |
+
B68 : ARG
|
203 |
+
B69 : PRO
|
204 |
+
B70 : ARG
|
205 |
+
B71 : GLY
|
206 |
+
B72 : THR
|
207 |
+
B73 : ARG
|
208 |
+
B74 : GLY
|
209 |
+
B75 : LYS
|
210 |
+
B76 : GLY
|
211 |
+
B77 : ARG
|
212 |
+
B78 : ARG
|
213 |
+
B79 : ILE
|
214 |
+
B80 : ARG
|
215 |
+
B81 : ARG
|
216 |
+
Adjacent stackings ----------------------------------------------
|
217 |
+
A4-A5 : adjacent_5p upward
|
218 |
+
A5-A6 : adjacent_5p upward
|
219 |
+
A8-A9 : adjacent_5p upward
|
220 |
+
A10-A11 : adjacent_5p downward
|
221 |
+
A13-A14 : adjacent_5p upward
|
222 |
+
A14-A15 : adjacent_5p upward
|
223 |
+
A18-A19 : adjacent_5p upward
|
224 |
+
A21-A22 : adjacent_5p upward
|
225 |
+
A22-A23 : adjacent_5p upward
|
226 |
+
A23-A24 : adjacent_5p upward
|
227 |
+
A25-A26 : adjacent_5p upward
|
228 |
+
A26-A27 : adjacent_5p upward
|
229 |
+
A27-A28 : adjacent_5p upward
|
230 |
+
A28-A29 : adjacent_5p upward
|
231 |
+
A29-A30 : adjacent_5p upward
|
232 |
+
A30-A31 : adjacent_5p upward
|
233 |
+
Non-Adjacent stackings ------------------------------------------
|
234 |
+
A9-A27 : outward
|
235 |
+
A11-A13 : upward
|
236 |
+
Number of stackings = 18
|
237 |
+
Number of adjacent stackings = 16
|
238 |
+
Number of non adjacent stackings = 2
|
239 |
+
Base-pairs ------------------------------------------------------
|
240 |
+
A4-A31 : G-C Ww/Ww pairing antiparallel cis XIX
|
241 |
+
A5-A30 : G-C Ww/Ww pairing antiparallel cis XIX
|
242 |
+
A6-A29 : C-G Ww/Ww pairing antiparallel cis XIX
|
243 |
+
A7-A28 : U-A Ww/Ww pairing antiparallel cis XX
|
244 |
+
A8-A27 : C-G Ww/Ww pairing antiparallel cis XIX
|
245 |
+
A9-A26 : G-C Ww/Ww pairing antiparallel cis XIX
|
246 |
+
A9-B77 : G-ARG pairing one_hbond
|
247 |
+
A10-A13 : U-A Ww/Hh pairing parallel cis XXIII
|
248 |
+
A11-A25 : G-C Ww/Ww pairing antiparallel cis XIX
|
249 |
+
A11-B73 : G-ARG pairing one_hbond
|
250 |
+
A13-A24 : A-U Ww/Ww pairing antiparallel cis XX
|
251 |
+
A14-A23 : G-C Ww/Ww pairing antiparallel cis XIX
|
252 |
+
A14-B70 : G-ARG pairing one_hbond
|
253 |
+
A15-A22 : C-G Ww/Ww pairing antiparallel cis XIX
|
254 |
+
A16-A21 : U-A Ww/Ww pairing antiparallel cis XX
|
255 |
+
A17-A18 : C-A O2'/Hh adjacent_5p pairing
|
256 |
+
Residue conformations -------------------------------------------
|
257 |
+
A4 : G C3p_endo anti
|
258 |
+
A5 : G C3p_endo anti
|
259 |
+
A6 : C C3p_endo anti
|
260 |
+
A7 : U C3p_endo anti
|
261 |
+
A8 : C C3p_endo anti
|
262 |
+
A9 : G C3p_endo anti
|
263 |
+
A10 : U C2p_endo anti
|
264 |
+
A11 : G C2p_endo anti
|
265 |
+
A12 : U C2p_endo anti
|
266 |
+
A13 : A C3p_endo anti
|
267 |
+
A14 : G C3p_endo anti
|
268 |
+
A15 : C C3p_endo anti
|
269 |
+
A16 : U C3p_endo anti
|
270 |
+
A17 : C C2p_endo anti
|
271 |
+
A18 : A C1p_exo anti
|
272 |
+
A19 : U C4p_exo anti
|
273 |
+
A20 : U C2p_endo anti
|
274 |
+
A21 : A C2p_endo anti
|
275 |
+
A22 : G C3p_endo anti
|
276 |
+
A23 : C C4p_exo anti
|
277 |
+
A24 : U C3p_endo anti
|
278 |
+
A25 : C C3p_endo anti
|
279 |
+
A26 : C C3p_endo anti
|
280 |
+
A27 : G C3p_endo anti
|
281 |
+
A28 : A C2p_exo anti
|
282 |
+
A29 : G C3p_endo anti
|
283 |
+
A30 : C C3p_endo anti
|
284 |
+
A31 : C C3p_endo anti
|
285 |
+
B65 : SER
|
286 |
+
B66 : GLY
|
287 |
+
B67 : PRO
|
288 |
+
B68 : ARG
|
289 |
+
B69 : PRO
|
290 |
+
B70 : ARG
|
291 |
+
B71 : GLY
|
292 |
+
B72 : THR
|
293 |
+
B73 : ARG
|
294 |
+
B74 : GLY
|
295 |
+
B75 : LYS
|
296 |
+
B76 : GLY
|
297 |
+
B77 : ARG
|
298 |
+
B78 : ARG
|
299 |
+
B79 : ILE
|
300 |
+
B80 : ARG
|
301 |
+
B81 : ARG
|
302 |
+
Adjacent stackings ----------------------------------------------
|
303 |
+
A4-A5 : adjacent_5p upward
|
304 |
+
A5-A6 : adjacent_5p upward
|
305 |
+
A8-A9 : adjacent_5p upward
|
306 |
+
A10-A11 : adjacent_5p downward
|
307 |
+
A13-A14 : adjacent_5p upward
|
308 |
+
A14-A15 : adjacent_5p upward
|
309 |
+
A15-A16 : adjacent_5p upward
|
310 |
+
A18-A19 : adjacent_5p upward
|
311 |
+
A21-A22 : adjacent_5p upward
|
312 |
+
A22-A23 : adjacent_5p upward
|
313 |
+
A23-A24 : adjacent_5p upward
|
314 |
+
A25-A26 : adjacent_5p upward
|
315 |
+
A26-A27 : adjacent_5p upward
|
316 |
+
A27-A28 : adjacent_5p upward
|
317 |
+
A28-A29 : adjacent_5p upward
|
318 |
+
A29-A30 : adjacent_5p upward
|
319 |
+
Non-Adjacent stackings ------------------------------------------
|
320 |
+
A5-A31 : outward
|
321 |
+
A8-A28 : outward
|
322 |
+
A9-A27 : outward
|
323 |
+
A11-A13 : upward
|
324 |
+
A13-A25 : outward
|
325 |
+
Number of stackings = 21
|
326 |
+
Number of adjacent stackings = 16
|
327 |
+
Number of non adjacent stackings = 5
|
328 |
+
Base-pairs ------------------------------------------------------
|
329 |
+
A4-A31 : G-C Ww/Ww pairing antiparallel cis XIX
|
330 |
+
A5-A30 : G-C Ww/Ww pairing antiparallel cis XIX
|
331 |
+
A6-A29 : C-G Ww/Ww pairing antiparallel cis XIX
|
332 |
+
A7-A28 : U-A Ww/Ww pairing antiparallel cis XX
|
333 |
+
A8-A27 : C-G Ww/Ww pairing antiparallel cis XIX
|
334 |
+
A9-A26 : G-C Ww/Ww pairing antiparallel cis XIX
|
335 |
+
A10-A13 : U-A Ww/Hh pairing parallel cis XXIII
|
336 |
+
A11-A25 : G-C Ww/Ww pairing antiparallel cis XIX
|
337 |
+
A11-B73 : G-ARG pairing one_hbond
|
338 |
+
A13-A24 : A-U Ww/Ww pairing antiparallel cis XX
|
339 |
+
A14-A23 : G-C Ww/Ww pairing antiparallel cis XIX
|
340 |
+
A14-B70 : G-ARG pairing one_hbond
|
341 |
+
A15-A22 : C-G Ww/Ww pairing antiparallel cis XIX
|
342 |
+
A16-A21 : U-A Ww/Ww pairing antiparallel cis XX
|
343 |
+
Residue conformations -------------------------------------------
|
344 |
+
A4 : G C1p_exo anti
|
345 |
+
A5 : G C3p_endo anti
|
346 |
+
A6 : C C3p_endo anti
|
347 |
+
A7 : U C3p_endo anti
|
348 |
+
A8 : C C3p_endo anti
|
349 |
+
A9 : G C3p_endo anti
|
350 |
+
A10 : U C1p_exo anti
|
351 |
+
A11 : G C2p_endo anti
|
352 |
+
A12 : U C2p_endo anti
|
353 |
+
A13 : A C4p_exo anti
|
354 |
+
A14 : G C3p_endo anti
|
355 |
+
A15 : C C3p_endo anti
|
356 |
+
A16 : U C3p_endo anti
|
357 |
+
A17 : C C2p_endo anti
|
358 |
+
A18 : A C2p_endo anti
|
359 |
+
A19 : U C4p_exo anti
|
360 |
+
A20 : U C2p_endo anti
|
361 |
+
A21 : A C2p_endo anti
|
362 |
+
A22 : G C3p_endo anti
|
363 |
+
A23 : C C4p_exo anti
|
364 |
+
A24 : U C3p_endo anti
|
365 |
+
A25 : C C3p_endo anti
|
366 |
+
A26 : C C3p_endo anti
|
367 |
+
A27 : G C3p_endo anti
|
368 |
+
A28 : A C3p_endo anti
|
369 |
+
A29 : G C3p_endo anti
|
370 |
+
A30 : C C3p_endo anti
|
371 |
+
A31 : C C3p_endo anti
|
372 |
+
B65 : SER
|
373 |
+
B66 : GLY
|
374 |
+
B67 : PRO
|
375 |
+
B68 : ARG
|
376 |
+
B69 : PRO
|
377 |
+
B70 : ARG
|
378 |
+
B71 : GLY
|
379 |
+
B72 : THR
|
380 |
+
B73 : ARG
|
381 |
+
B74 : GLY
|
382 |
+
B75 : LYS
|
383 |
+
B76 : GLY
|
384 |
+
B77 : ARG
|
385 |
+
B78 : ARG
|
386 |
+
B79 : ILE
|
387 |
+
B80 : ARG
|
388 |
+
B81 : ARG
|
389 |
+
Adjacent stackings ----------------------------------------------
|
390 |
+
A5-A6 : adjacent_5p upward
|
391 |
+
A6-A7 : adjacent_5p upward
|
392 |
+
A8-A9 : adjacent_5p upward
|
393 |
+
A10-A11 : adjacent_5p downward
|
394 |
+
A13-A14 : adjacent_5p upward
|
395 |
+
A14-A15 : adjacent_5p upward
|
396 |
+
A18-A19 : adjacent_5p upward
|
397 |
+
A21-A22 : adjacent_5p upward
|
398 |
+
A22-A23 : adjacent_5p upward
|
399 |
+
A24-A25 : adjacent_5p upward
|
400 |
+
A27-A28 : adjacent_5p upward
|
401 |
+
A28-A29 : adjacent_5p upward
|
402 |
+
A29-A30 : adjacent_5p upward
|
403 |
+
A30-A31 : adjacent_5p upward
|
404 |
+
Non-Adjacent stackings ------------------------------------------
|
405 |
+
A9-A27 : outward
|
406 |
+
A13-A25 : outward
|
407 |
+
Number of stackings = 16
|
408 |
+
Number of adjacent stackings = 14
|
409 |
+
Number of non adjacent stackings = 2
|
410 |
+
Base-pairs ------------------------------------------------------
|
411 |
+
A4-A5 : G-G O2'/Hh adjacent_5p pairing
|
412 |
+
A4-A31 : G-C Ww/Ww pairing antiparallel cis XIX
|
413 |
+
A5-A30 : G-C Ww/Ww pairing antiparallel cis XIX
|
414 |
+
A6-A29 : C-G Ww/Ww pairing antiparallel cis XIX
|
415 |
+
A7-A28 : U-A Ww/Ww pairing antiparallel cis XX
|
416 |
+
A8-A27 : C-G Ww/Ww pairing antiparallel cis XIX
|
417 |
+
A9-A26 : G-C Ww/Ww pairing antiparallel cis XIX
|
418 |
+
A9-B77 : G-ARG pairing one_hbond
|
419 |
+
A10-A13 : U-A Ww/Hh pairing parallel cis XXIII
|
420 |
+
A11-A25 : G-C Ww/Ww pairing antiparallel cis XIX
|
421 |
+
A13-A24 : A-U Ww/Ww pairing antiparallel cis XX
|
422 |
+
A14-A23 : G-C Ww/Ww pairing antiparallel cis XIX
|
423 |
+
A14-B70 : G-ARG pairing
|
424 |
+
A15-A22 : C-G Ww/Ww pairing antiparallel cis XIX
|
425 |
+
A16-A21 : U-A Ww/Ww pairing antiparallel cis XX
|
426 |
+
A17-A18 : C-A O2'/Hh adjacent_5p pairing
|