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Upload 1bj2_MC with huggingface_hub

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1bj2_MC ADDED
@@ -0,0 +1,787 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
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