Project name: fold_predicted_tetramere_triangle

Status: done

Started: 2026-03-18 10:26:21
Settings
Chain sequence(s) A: GDARASEALTVFTRLKEQAVAQQDLADDFSILRFDRDQHQVGWSSLVIAKQISLNGQPVIAVRPLILPNNSIELPDIDVGTVFSAQYFNRLSTYVQNTLGKPGAKVVLAGPFPIPADLVLKDSELQLRNLLIKSVNACDDILALHSGERPFTIAGLKGQQGETLAAKVDIRTQPLHDTVGNPIRADIVVTTQRVRRNGQQENEFYETDVKLNQVAMFTNLERTPPAPWVASVVITDVRNADGIQANTPEMYWFALSNAFRSTHGHAWARPFLPMTGVAKDMKDIGALGWMSALRNRIDTKAANFDDAQFGQLMLSQVQPNPVFQIDLNRMGETAQMDSLQLDAAGGPNAQKAAATIIRQINNLGGGGFERFFDHTTQPILERTGQVIDLGNWFDGDEKRDRRDLDNLAALNAAEGNENEFWGFYGAQLNPNLHPDLRNRQSRNYDRQYLGSTVTYTGKAERCTYNAKFIEALDRYLAEAGLQITMDNTSGQRFMGNSVIGNNMVSGQAQVHGINSQFTRSGNVQGGDARASEALTVFTRLKEQAVAQQDLADDFSILRFDRDQHQVGWSSLVIAKQISLNGQPVIAVRPLILPNNSIELPKRKTNIVNGMQTDVIESDIDVGTVFSAQYFNRLSTYVQNTLGKPGAKVVLAGPFPIPADLVLKDSELQLRNLLIKSVNACDDILALHSGERPFTIAGLKGQQGETLAAKVDIRTQPLHDTVGNPIRADIVVTTQRVDVKLNQVAMFTNLERTPQAQAQTLFPNQPAPWVASVVITDVRNADGIQANTPEMYWFALSNAFRSTHGHAWARPFLPMTGVAKDMKDIGALGWMSALRNRIDTKAANFDDAQFGQLMLSQVQPNPVFQIDLNRMGETAQMDSLQLDAAGGPNAQKAAATIIRQINNLGGGGFERFFDHTTQPILERTGQVIDLGNWFDGDEKRDRRDLDNLAALNAAEGNENEFWGFYGAQLWGFYGAQLNPNLHPDLRNRQSRNYDRQYLGSTVTYTGKAERCTYNAKFIEALDRYLAEAGLQITMDNMSGVPPEELLKGAEEFIEELIRESEEGAEALLQALEEAIEAAEEAARRKSGTGEEVGAALAAAVTEVIAALSALLTETLAHVAALATQALAAAAAQRVPPEELLKGAERFIELLIRLSERGAEALLRALELAIEAAEEAARRKSGTGKEVGAALAAAVTEVIAALSALLTLTLAHVAALATQALAAAAAQRVPPEELLRGAERFIELLIRLSERGAEALLRALELAIRAAREAARRKSGTGEEVGAALAAAVTEVIAALSALLTLTLAHVAALATQALAAAAAQRVPPEELEKGAERFIELLERLSERGAEALERALELAEEAAEEAARRKSGTGEEVGAALAAAETEVEAALSALETLTEAHVAALATQAEAAAAAQRSGDSTVLSKAISVISTIARTSGSEEALRQAIEAVAEIAKEAQDPTVLSKALEAITKILFTSIDNEEVARQAREAVLELSQDEETRELLEKLREAEDEEEKREIIEELAKRGPEAILALLAEAIILGLDVEEVLKIAIKINSKDSDAASLLITAISELARQKGTEESLRQAIEDVAQLAKESQDSTVLSKAISVISTIARTSGSEEALRQAIEAVAEIAKEAQTHAPSPESARRQLAELEETQERGEAEIARAVEEGERELERLEEEQKAGLPATEFHARAIAALTEWIARQEALLTRLQAELEAQFTRLLAELKAGLEPSRETLEQFLELREFWQEQGERQLALARELTDRQLEWVKRLKEWGLPQTEANALAIATLTRGAALLEALLTRTVAGVEAIFTEALAALRAGLEPSRETLEQFLELREFWQEQGERQLALARELTDRQLEWVKRLKEWGLPQTEANALAIATLTRGAALLEALLTRTVAGVEAIFTEALAALRAGLEPSEEFTELLEELRERFVEAYERLKEIARELTEWLLRWVEEFREWGLPETEAEALREAVETRGRALLEAIETRGEAAVEAIRTEREAARRAGQNLHPDLRNRQSRNYDRQYLGSTVTYTGKAERCTYNAKFIEALDRYLAEAGLQITMDNGDARASEALTVFTRLKEQAVAQQDLADDFSILRFDRDQHQVGWSSLVIAKQISLNGQPVIAVRPLILPNNSIELPDIDVGTVFSAQYFNRLSTYVQNTLGKPGAKVVLAGPFPIPADLVLKDSELQLRNLLIKSVNACDDILALHSGERPFTIAGLKGQQGETLAAKVDIRTQPLHDTVGNPIRADIVVTTQRVRRNGQQENEFYETDVKLNQVAMFTNLERTPPAPWVASVVITDVRNADGIQANTPEMYWFALSNAFRSTHGHAWARPFLPMTGVAKDMKDIGALGWMSALRNRIDTKAANFDDAQFGQLMLSQVQPNPVFQIDLNRMGETAQMDSLQLDAAGGPNAQKAAATIIRQINNLGGGGFERFFDHTTQPILERTGQVIDLGNWFDGDEKRDRRDLDNLAALNAAEGNENEFWGFYGAQLNPNLHPDLRNRQSRNYDRQYLGSTVTYTGKAERCTYNAKFIEALDRYLAEAGLQITMDNTSGQRFMGNSVIGNNMVSGQAQVHGINSQFTRSGNVQGGDARASEALTVFTRLKEQAVAQQDLADDFSILRFDRDQHQVGWSSLVIAKQISLNGQPVIAVRPLILPNNSIELPKRKTNIVNGMQTDVIESDIDVGTVFSAQYFNRLSTYVQNTLGKPGAKVVLAGPFPIPADLVLKDSELQLRNLLIKSVNACDDILALHSGERPFTIAGLKGQQGETLAAKVDIRTQPLHDTVGNPIRADIVVTTQRVDVKLNQVAMFTNLERTPQAQAQTLFPNQPAPWVASVVITDVRNADGIQANTPEMYWFALSNAFRSTHGHAWARPFLPMTGVAKDMKDIGALGWMSALRNRIDTKAANFDDAQFGQLMLSQVQPNPVFQIDLNRMGETAQMDSLQLDAAGGPNAQKAAATIIRQINNLGGGGFERFFDHTTQPILERTGQVIDLGNWFDGDEKRDRRDLDNLAALNAAEGNENE
input PDB
Selected Chain(s) A
Distance of aggregation 10 Å
FoldX usage Yes
Dynamic mode No
Automated mutations No
Downloads Download all the data
Simulation log
[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:00)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:00)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:08)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:55:35)
[INFO]       Main:     Simulation completed successfully.                                          (00:57:03)
Show buried residues

Minimal score value
-4.6568
Maximal score value
2.3334
Average score
-0.9634
Total score value
-2915.1736

The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.

residue index residue name chain Aggrescan3D score mutation
residue index residue name chain Aggrescan3D score
mutation
1 G A -0.7236
2 D A 0.0000
3 A A -0.5123
4 R A -0.5626
5 A A 0.0000
6 S A -0.9150
7 E A -1.4531
8 A A 0.0000
9 L A -0.5890
10 T A -0.9951
11 V A 0.0000
12 F A 0.0000
13 T A -1.1458
14 R A -1.9780
15 L A 0.0000
16 K A -1.9297
17 E A -2.7839
18 Q A -1.6714
19 A A 0.0000
20 V A -1.4478
21 A A -0.9258
22 Q A -0.8454
23 Q A -0.9684
24 D A 0.0000
25 L A 0.0000
26 A A -1.4894
27 D A -2.9335
28 D A -2.6031
29 F A 0.0000
30 S A -0.6326
31 I A 0.1175
32 L A 0.0000
33 R A -0.5047
34 F A 0.0000
35 D A 0.0000
36 R A 0.0000
37 D A -1.3103
38 Q A -1.0695
39 H A -0.9389
40 Q A -1.3145
41 V A 0.0000
42 G A 0.0000
43 W A 0.0000
44 S A 0.0000
45 S A 0.0000
46 L A 0.0000
47 V A 0.0000
48 I A 0.0000
49 A A 0.0000
50 K A 0.0000
51 Q A -0.5142
52 I A -0.2621
53 S A -0.5892
54 L A -0.9654
55 N A -1.5956
56 G A -1.3094
57 Q A -1.5465
58 P A -1.1961
59 V A 0.0000
60 I A 0.0000
61 A A 0.0000
62 V A 0.0000
63 R A 0.0000
64 P A 0.0000
65 L A 0.0000
66 I A 0.0000
67 L A 0.0000
68 P A 0.0000
69 N A -1.3279
70 N A -2.0570
71 S A -1.1672
72 I A -1.0733
73 E A -2.2521
74 L A 0.0000
75 P A -1.6720
76 D A -2.2087
77 I A -1.1202
78 D A -0.5758
79 V A 0.0145
80 G A -0.3896
81 T A -0.2198
82 V A 0.0000
83 F A 0.0000
84 S A -0.6473
85 A A -0.8561
86 Q A -1.6795
87 Y A 0.0000
88 F A -0.7631
89 N A -1.7767
90 R A -1.4287
91 L A 0.0000
92 S A -1.1141
93 T A -1.0078
94 Y A -0.7051
95 V A 0.0000
96 Q A -1.4101
97 N A -1.9275
98 T A -0.9177
99 L A -0.5090
100 G A -0.7086
101 K A -1.4994
102 P A -1.3983
103 G A -1.4609
104 A A 0.0000
105 K A -1.9927
106 V A 0.0000
107 V A 0.0000
108 L A 0.2360
109 A A 0.0000
110 G A 0.0000
111 P A 0.0000
112 F A 0.0000
113 P A -0.0914
114 I A 0.0000
115 P A -0.4715
116 A A -0.9784
117 D A -1.4932
118 L A -0.2931
119 V A 0.3881
120 L A 0.0000
121 K A -1.7355
122 D A -1.8020
123 S A -0.6579
124 E A -0.6240
125 L A 0.6366
126 Q A -0.1907
127 L A 0.0000
128 R A 0.0000
129 N A -0.4128
130 L A 0.0000
131 L A 0.0000
132 I A 0.0000
133 K A -0.8128
134 S A 0.0000
135 V A 0.0000
136 N A 0.0000
137 A A -0.4978
138 C A 0.0000
139 D A -0.3677
140 D A 0.0000
141 I A 0.0000
142 L A 0.0000
143 A A -0.5609
144 L A -0.1914
145 H A -0.6917
146 S A -1.0110
147 G A -1.3308
148 E A -1.7821
149 R A -2.2221
150 P A -1.1847
151 F A 0.0000
152 T A -0.7502
153 I A 0.0000
154 A A -0.8116
155 G A -0.7986
156 L A 0.0000
157 K A -2.6665
158 G A -2.3497
159 Q A -2.4875
160 Q A -2.6058
161 G A -2.6980
162 E A -2.4615
163 T A -1.5658
164 L A 0.0000
165 A A 0.0000
166 A A 0.0000
167 K A -1.3865
168 V A -1.0098
169 D A -1.2885
170 I A -0.8338
171 R A -1.6790
172 T A -1.1021
173 Q A -1.7749
174 P A 0.0000
175 L A -0.4998
176 H A -0.7935
177 D A -0.7524
178 T A -0.5484
179 V A 0.0000
180 G A -0.5829
181 N A -0.6321
182 P A 0.0000
183 I A -0.2458
184 R A 0.0000
185 A A 0.0000
186 D A 0.0000
187 I A 0.0000
188 V A 0.0000
189 V A 0.0000
190 T A -0.7691
191 T A 0.0000
192 Q A 0.0000
193 R A -0.8863
194 V A -1.4100
195 R A -2.6840
196 R A -3.3314
197 N A -2.9898
198 G A -2.6573
199 Q A -3.2450
200 Q A -3.4780
201 E A -3.0095
202 N A -2.7449
203 E A -3.3059
204 F A 0.0000
205 Y A -2.0040
206 E A -2.5434
207 T A -2.4687
208 D A -2.2255
209 V A -1.0091
210 K A -1.7594
211 L A 0.0000
212 N A 0.0000
213 Q A -0.7824
214 V A 0.0000
215 A A 0.0000
216 M A 0.0000
217 F A 0.0000
218 T A 0.0000
219 N A 0.0000
220 L A 0.0000
221 E A -0.3333
222 R A -0.5582
223 T A -0.4422
224 P A -0.5608
225 P A -0.4819
226 A A -0.3933
227 P A -0.3394
228 W A 0.0000
229 V A -0.3413
230 A A 0.0000
231 S A 0.0000
232 V A 0.0000
233 V A 0.0000
234 I A 0.0000
235 T A -0.0372
236 D A -0.3855
237 V A 0.0000
238 R A -0.9385
239 N A -1.1743
240 A A 0.0000
241 D A -2.5060
242 G A -1.9578
243 I A -1.2789
244 Q A -1.0334
245 A A 0.0000
246 N A -0.8674
247 T A 0.0000
248 P A 0.0000
249 E A 0.0000
250 M A 0.0000
251 Y A 0.0000
252 W A 0.0000
253 F A 0.0000
254 A A 0.0000
255 L A 0.0000
256 S A 0.0000
257 N A 0.0000
258 A A 0.0000
259 F A -0.0513
260 R A -0.3476
261 S A 0.0000
262 T A -0.8110
263 H A -0.8643
264 G A -1.1942
265 H A -1.4302
266 A A -0.9200
267 W A 0.0000
268 A A 0.0000
269 R A -1.0321
270 P A 0.0000
271 F A 0.0000
272 L A -0.1536
273 P A -0.4869
274 M A 0.2049
275 T A -0.0221
276 G A -0.3682
277 V A 0.0653
278 A A -0.5181
279 K A -1.5748
280 D A -0.8305
281 M A -0.4972
282 K A -0.4097
283 D A 0.0000
284 I A 0.0000
285 G A 0.0000
286 A A 0.0000
287 L A 0.0000
288 G A 0.0000
289 W A 0.0000
290 M A -0.7681
291 S A -0.3445
292 A A -0.0292
293 L A 0.0075
294 R A -1.8618
295 N A -2.2973
296 R A -1.9639
297 I A -1.1589
298 D A -2.2526
299 T A 0.0000
300 K A -1.5787
301 A A -1.4122
302 A A -1.1847
303 N A -2.2425
304 F A -2.2620
305 D A -3.1407
306 D A -3.0281
307 A A -2.0363
308 Q A -2.2321
309 F A 0.0000
310 G A -1.1976
311 Q A -1.2834
312 L A 0.0000
313 M A 0.0000
314 L A 0.7125
315 S A 0.0124
316 Q A -0.1306
317 V A 0.0000
318 Q A -0.6076
319 P A -0.8233
320 N A -1.4794
321 P A 0.0000
322 V A 0.0365
323 F A 0.0000
324 Q A 0.0000
325 I A 0.0000
326 D A 0.0000
327 L A 0.0000
328 N A -0.9889
329 R A -1.3926
330 M A 0.0000
331 G A -0.7253
332 E A -1.0964
333 T A -0.8553
334 A A 0.0000
335 Q A -0.8560
336 M A 0.0000
337 D A 0.0000
338 S A -1.0045
339 L A -0.9837
340 Q A 0.0000
341 L A 0.0000
342 D A -2.5621
343 A A 0.0000
344 A A -2.0233
345 G A -1.9445
346 G A -1.5940
347 P A -1.6319
348 N A -2.5486
349 A A -2.4074
350 Q A -2.7243
351 K A -2.8378
352 A A 0.0000
353 A A 0.0000
354 A A -1.4655
355 T A -1.3145
356 I A 0.0000
357 I A 0.0000
358 R A -2.1943
359 Q A -1.2182
360 I A 0.0000
361 N A -1.4341
362 N A -1.2440
363 L A 0.0000
364 G A -0.7616
365 G A -0.7296
366 G A -1.3187
367 G A -1.4744
368 F A 0.0000
369 E A -2.7683
370 R A -2.5889
371 F A -1.8104
372 F A 0.0000
373 D A -2.4178
374 H A -1.5184
375 T A -1.1705
376 T A -0.8975
377 Q A -1.4750
378 P A -1.5176
379 I A 0.0000
380 L A 0.0000
381 E A -2.5431
382 R A -2.2653
383 T A -1.1439
384 G A -1.1163
385 Q A 0.0000
386 V A -0.3699
387 I A 0.0000
388 D A 0.0000
389 L A 0.1161
390 G A 0.0000
391 N A -0.3481
392 W A 0.0000
393 F A -1.1976
394 D A -2.5273
395 G A -2.2959
396 D A -2.9265
397 E A -2.8987
398 K A -2.1742
399 R A -1.6106
400 D A 0.0000
401 R A 0.0000
402 R A 0.0000
403 D A -0.2707
404 L A 0.0000
405 D A 0.0000
406 N A 0.0000
407 L A 0.0000
408 A A 0.0000
409 A A 0.0000
410 L A 0.0000
411 N A -1.1592
412 A A -1.1378
413 A A 0.0000
414 E A -2.6082
415 G A -2.5965
416 N A -2.4689
417 E A -2.6784
418 N A -2.2439
419 E A -1.8978
420 F A 0.0000
421 W A -0.7071
422 G A -0.8717
423 F A 0.0000
424 Y A 0.0000
425 G A -0.3811
426 A A 0.0000
427 Q A -0.0364
428 L A -0.0355
429 N A -0.9583
430 P A -1.1053
431 N A -1.4825
432 L A -0.6928
433 H A -1.2337
434 P A -1.1702
435 D A -1.6252
436 L A -0.6694
437 R A 0.0000
438 N A -1.6354
439 R A -2.6181
440 Q A -2.1277
441 S A 0.0000
442 R A -2.2729
443 N A -2.8359
444 Y A -1.9102
445 D A 0.0000
446 R A -2.4142
447 Q A -2.1572
448 Y A -1.0699
449 L A 0.0000
450 G A -1.2623
451 S A -0.9277
452 T A -0.4672
453 V A 0.0000
454 T A -0.2460
455 Y A 0.0887
456 T A -0.0242
457 G A -0.2836
458 K A -0.5253
459 A A 0.0000
460 E A -0.9290
461 R A 0.0000
462 C A 0.0000
463 T A -0.8835
464 Y A 0.0000
465 N A -1.1502
466 A A -0.7658
467 K A -1.8359
468 F A 0.0000
469 I A 0.0000
470 E A -1.4945
471 A A 0.0000
472 L A 0.0000
473 D A -1.3383
474 R A -2.1203
475 Y A 0.0000
476 L A 0.0000
477 A A -1.7434
478 E A -2.4191
479 A A -1.4351
480 G A -1.4405
481 L A 0.0000
482 Q A -1.4898
483 I A -0.4905
484 T A -0.5694
485 M A -0.9592
486 D A -1.9589
487 N A -2.2045
488 T A -1.5482
489 S A -1.4758
490 G A -1.6120
491 Q A -1.9500
492 R A -1.4607
493 F A 1.0905
494 M A 1.0426
495 G A -0.2708
496 N A -1.0111
497 S A 0.3693
498 V A 2.2624
499 I A 2.2744
500 G A 0.2138
501 N A -1.4675
502 N A -1.0443
503 M A 1.0497
504 V A 1.8779
505 S A 0.3935
506 G A -0.7955
507 Q A -1.5136
508 A A -0.9626
509 Q A -0.8206
510 V A 0.5505
511 H A -0.6152
512 G A -0.6326
513 I A 0.0553
514 N A -1.2228
515 S A -0.8173
516 Q A -0.9603
517 F A -0.3253
518 T A -0.6519
519 R A -0.5066
520 S A -0.8566
521 G A 0.0000
522 N A -1.1264
523 V A -1.1116
524 Q A -1.9222
525 G A -1.0239
526 G A -1.0559
527 D A 0.0000
528 A A -0.5294
529 R A -0.4524
530 A A 0.0000
531 S A -0.7117
532 E A -1.3395
533 A A 0.0000
534 L A 0.0000
535 T A -1.0672
536 V A 0.0000
537 F A 0.0000
538 T A -1.5348
539 R A -2.4864
540 L A 0.0000
541 K A -2.0075
542 E A -2.8968
543 Q A -1.7734
544 A A 0.0000
545 V A -1.4522
546 A A -0.8970
547 Q A -0.8156
548 Q A -0.9035
549 D A 0.0000
550 L A 0.0000
551 A A -1.4607
552 D A -2.9011
553 D A -2.5998
554 F A 0.0000
555 S A -0.7225
556 I A 0.0000
557 L A 0.0000
558 R A 0.0000
559 F A 0.0000
560 D A 0.0000
561 R A 0.0000
562 D A -2.1136
563 Q A -2.2699
564 H A -1.3826
565 Q A -1.6144
566 V A 0.0000
567 G A 0.0000
568 W A 0.0000
569 S A 0.0000
570 S A 0.0000
571 L A 0.0000
572 V A 0.0000
573 I A 0.0000
574 A A 0.0000
575 K A 0.0000
576 Q A -0.5846
577 I A -0.2863
578 S A -0.5984
579 L A -0.9692
580 N A -1.5946
581 G A -1.3046
582 Q A -1.5538
583 P A -1.2214
584 V A 0.0000
585 I A 0.0000
586 A A 0.0000
587 V A 0.0000
588 R A 0.0000
589 P A 0.0000
590 L A 0.0000
591 I A 0.0000
592 L A 0.0000
593 P A 0.0000
594 N A -1.3224
595 N A -2.0305
596 S A -1.1714
597 I A -1.0852
598 E A -2.4006
599 L A 0.0000
600 P A -2.5438
601 K A -3.5207
602 R A -3.1524
603 K A -3.2415
604 T A -1.5112
605 N A -1.1823
606 I A -0.0087
607 V A 0.8167
608 N A -0.8593
609 G A -0.2090
610 M A 0.3285
611 Q A -0.7383
612 T A -0.1720
613 D A -0.4569
614 V A -0.0431
615 I A -1.1276
616 E A -3.1527
617 S A 0.0000
618 D A -3.4406
619 I A 0.0000
620 D A -0.6921
621 V A -0.0307
622 G A -0.4376
623 T A -0.4764
624 V A 0.0000
625 F A 0.0000
626 S A -0.6247
627 A A -0.8497
628 Q A -1.6971
629 Y A 0.0000
630 F A -0.7641
631 N A -1.7715
632 R A -1.4038
633 L A 0.0000
634 S A -1.1202
635 T A -1.0145
636 Y A -0.7006
637 V A 0.0000
638 Q A -1.4934
639 N A -1.7144
640 T A -0.8211
641 L A -0.6400
642 G A -1.2158
643 K A -1.6791
644 P A -1.4892
645 G A -1.5175
646 A A 0.0000
647 K A -2.0901
648 V A 0.0000
649 V A 0.0000
650 L A 0.2993
651 A A 0.0000
652 G A 0.0000
653 P A 0.0000
654 F A 0.0000
655 P A -0.0888
656 I A 0.0000
657 P A -0.4558
658 A A -0.9661
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1987 I A 0.0000
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1991 G A 0.0000
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1993 A A -1.8383
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1995 V A -1.7347
1996 E A -2.1721
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1998 I A 0.0000
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2000 T A -1.8786
2001 E A -2.2128
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2009 G A -2.5120
2010 Q A -2.7264
2011 N A -2.0421
2012 L A -0.9722
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2016 L A -1.3233
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2995 D A 0.0000
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3000 F A -1.3718
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3018 N A -1.1800
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3020 A A 0.0000
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3022 G A -2.9466
3023 N A -3.0990
3024 E A -3.6825
3025 N A -3.3405
3026 E A -3.0650
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Laboratory of Theory of Biopolymers 2018