Project name: V237M

Status: done

Started: 2026-05-15 06:23:58
Settings
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNMDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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                                        (00:00:05)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:31:52)
[INFO]       Main:     Simulation completed successfully.                                          (00:33:06)
Show buried residues

Minimal score value
-4.8661
Maximal score value
5.8884
Average score
-0.7537
Total score value
-1749.3756

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 M A 0.7150
2 G A -0.1984
3 P A -0.6950
4 G A -1.0128
5 A A -1.5264
6 R A -2.8926
7 G A -3.0165
8 R A -4.1373
9 R A -4.6024
10 R A -4.8661
11 R A -4.7684
12 R A -4.2662
13 R A -3.3138
14 P A -1.4146
15 M A 0.0273
16 S A -0.2187
17 P A -0.3383
18 P A -0.5167
19 P A -0.6835
20 P A -0.6933
21 P A -0.3976
22 P A -0.3485
23 P A -0.0876
24 V A 0.8641
25 R A -0.6654
26 A A 0.7236
27 L A 2.1110
28 P A 2.0014
29 L A 3.6936
30 L A 4.1715
31 L A 4.0345
32 L A 3.7976
33 L A 3.2162
34 A A 1.5753
35 G A 0.2218
36 P A -0.4681
37 G A -0.6718
38 A A -0.3111
39 A A -0.1364
40 A A -0.0284
41 P A -0.6699
42 P A -0.9333
43 C A -0.6624
44 L A 0.4854
45 D A -1.3257
46 G A -0.9895
47 S A -1.1404
48 P A -1.2364
49 C A 0.0000
50 A A -1.5384
51 N A -1.7207
52 G A -1.3377
53 G A 0.0000
54 R A -1.7348
55 C A 0.0000
56 T A -0.7407
57 Q A -1.6252
58 L A -0.9218
59 P A -1.1165
60 S A -1.6570
61 R A -2.8872
62 E A -2.7935
63 A A -1.9015
64 A A -1.2606
65 C A -0.9648
66 L A 0.4984
67 C A -0.2559
68 P A -0.1889
69 P A -0.4707
70 G A -1.0120
71 W A -1.1036
72 V A -0.9121
73 G A -1.1656
74 E A -2.3039
75 R A -2.7071
76 C A 0.0000
77 Q A -1.8467
78 L A -1.5373
79 E A -2.2983
80 D A -1.5809
81 P A -1.3580
82 C A -0.9237
83 H A -1.5502
84 S A -1.1493
85 G A -0.8630
86 P A -0.3851
87 C A -0.7175
88 A A -0.5307
89 G A -0.9872
90 R A -1.6515
91 G A -1.0326
92 V A 0.4773
93 C A -0.1184
94 Q A -0.4863
95 S A -0.4004
96 S A -0.0096
97 V A 0.7536
98 V A 1.5591
99 A A 0.6201
100 G A -0.1804
101 T A -0.1657
102 A A -0.5409
103 R A -1.3556
104 F A -0.6849
105 S A -0.7166
106 C A -0.8241
107 R A -1.6707
108 C A -1.0950
109 P A -1.2673
110 R A -1.7649
111 G A -0.3614
112 F A -0.3277
113 R A -0.6947
114 G A -0.5566
115 P A -0.7593
116 D A -0.7747
117 C A 0.0000
118 S A -0.2825
119 L A 0.4151
120 P A -0.1175
121 D A -0.1649
122 P A 0.1275
123 C A 0.3280
124 L A 0.8227
125 S A 0.2981
126 S A -0.0998
127 P A -0.3202
128 C A -1.0837
129 A A -1.4964
130 H A -1.6601
131 G A -1.2711
132 A A -1.5091
133 R A -1.7868
134 C A -0.1524
135 S A -0.0160
136 V A 0.1029
137 G A -0.6327
138 P A -1.2202
139 D A -2.2774
140 G A -1.5461
141 R A -1.9577
142 F A -0.4463
143 L A 0.2145
144 C A -0.6637
145 S A -0.8836
146 C A -1.2687
147 P A -0.8048
148 P A -0.4907
149 G A -0.8565
150 Y A -1.6903
151 Q A -2.3987
152 G A -2.4505
153 R A -2.3493
154 S A -1.8653
155 C A 0.0000
156 R A -2.9003
157 S A -2.2353
158 D A -1.8519
159 V A -1.2237
160 D A -1.2983
161 E A -1.6620
162 C A -1.5497
163 R A -1.8363
164 V A 0.0473
165 G A -1.0642
166 E A -2.4011
167 P A -1.6293
168 C A 0.0000
169 R A -3.0989
170 H A -2.2287
171 G A -1.7694
172 G A -1.7820
173 T A -1.2828
174 C A -1.4753
175 L A -0.5390
176 N A -1.2428
177 T A -0.8475
178 P A -0.9764
179 G A -1.1129
180 S A -0.8935
181 F A -1.0634
182 R A -1.9335
183 C A -1.6624
184 Q A -1.5557
185 C A -1.3421
186 P A -0.6548
187 A A 0.1276
188 G A 0.0865
189 Y A -0.6536
190 T A -0.8321
191 G A -1.2773
192 P A -1.2056
193 L A -1.4998
194 C A 0.0000
195 E A -2.0369
196 N A -1.7871
197 P A -0.6426
198 A A 0.2771
199 V A 1.0004
200 P A -0.0541
201 C A -0.2456
202 A A 0.2310
203 P A -0.0013
204 S A -0.7099
205 P A -1.0051
206 C A 0.0000
207 R A -2.8318
208 N A -1.8610
209 G A -1.3054
210 G A -1.4874
211 T A -1.1755
212 C A -1.8321
213 R A -2.9225
214 Q A -2.4007
215 S A -1.7259
216 G A -1.3562
217 D A -1.1228
218 L A 0.7300
219 T A -0.5031
220 Y A -1.5995
221 D A -2.7913
222 C A -2.1150
223 A A -0.8604
224 C A -0.7502
225 L A 0.1971
226 P A 0.0144
227 G A 0.0000
228 F A -1.0152
229 E A -1.9323
230 G A -1.8218
231 Q A -2.3208
232 N A -2.2613
233 C A 0.0000
234 E A -2.0733
235 V A -0.6485
236 N A -0.7638
237 M A -1.0395
238 D A -1.8929
239 D A -2.0376
240 C A -1.7066
241 P A -1.5011
242 G A -1.3711
243 H A -1.6713
244 R A -2.1507
245 C A -1.0980
246 L A -0.1939
247 N A -0.9736
248 G A -0.6760
249 G A -0.8784
250 T A -0.6646
251 C A -0.8171
252 V A -0.2447
253 D A -1.0195
254 G A -0.3229
255 V A 0.6928
256 N A -0.8977
257 T A -0.7837
258 Y A -1.3303
259 N A -1.8011
260 C A -1.3267
261 Q A -1.3626
262 C A -1.1703
263 P A -0.6638
264 P A -0.7508
265 E A -1.1526
266 W A -1.1567
267 T A -1.4707
268 G A -1.6539
269 Q A -1.9620
270 F A -1.4628
271 C A 0.0000
272 T A -1.3063
273 E A -2.0998
274 D A -1.3378
275 V A -0.8575
276 D A -0.9913
277 E A -1.1523
278 C A -0.9807
279 Q A -1.1571
280 L A 0.0044
281 Q A -1.4567
282 P A -1.5173
283 N A -2.1270
284 A A -1.5411
285 C A 0.0000
286 H A -1.8907
287 N A -1.5022
288 G A -0.9126
289 G A -0.1745
290 T A 0.5025
291 C A -0.0041
292 F A 0.4877
293 N A -0.5131
294 T A 0.1589
295 L A 0.7509
296 G A -0.3949
297 G A -0.3212
298 H A -0.6428
299 S A -0.2002
300 C A 0.4533
301 V A 1.7737
302 C A 0.4764
303 V A 0.7346
304 N A -0.2579
305 G A 0.0000
306 W A -0.3103
307 T A -0.7738
308 G A -1.2430
309 E A -2.0001
310 S A -1.4599
311 C A 0.0000
312 S A -1.5408
313 Q A -1.8536
314 N A -1.1988
315 I A -0.6183
316 D A -1.7121
317 D A -0.9100
318 C A -0.4521
319 A A -0.1870
320 T A 0.1004
321 A A 0.8335
322 V A 1.9938
323 C A 1.6565
324 F A 1.0142
325 H A -0.7985
326 G A -0.4924
327 A A 0.2385
328 T A 0.2001
329 C A 0.2415
330 H A -0.8272
331 D A -1.5308
332 R A -1.4843
333 V A 0.2146
334 A A -0.2048
335 S A -0.4718
336 F A 0.1175
337 Y A 0.7649
338 C A 0.0000
339 A A 0.7901
340 C A 0.3543
341 P A 0.1676
342 M A 0.8607
343 G A 0.0320
344 K A -0.9064
345 T A -0.6320
346 G A 0.5510
347 L A 2.1385
348 L A 1.7048
349 C A 0.0000
350 H A -0.2074
351 L A -1.1231
352 D A -2.3216
353 D A -1.5485
354 A A -1.1476
355 C A -0.2413
356 V A 1.0310
357 S A 0.0036
358 N A -0.9326
359 P A -0.9476
360 C A -1.2323
361 H A -2.2249
362 E A -3.6284
363 D A -2.5061
364 A A 0.0000
365 I A 1.0520
366 C A -0.0297
367 D A -1.1554
368 T A 0.0000
369 N A -0.9156
370 P A -0.1955
371 V A 0.9252
372 N A -1.1506
373 G A -1.8088
374 R A -2.2730
375 A A -1.0821
376 I A 0.4047
377 C A 0.0107
378 T A 0.4798
379 C A -0.3014
380 P A -0.3684
381 P A -0.5393
382 G A -0.8951
383 F A -1.5910
384 T A -1.2183
385 G A -1.3244
386 G A -0.8167
387 A A -1.1987
388 C A 0.0000
389 D A -2.9824
390 Q A -2.6756
391 D A -2.2480
392 V A -1.1390
393 D A -1.0885
394 E A -0.4786
395 C A 0.0000
396 S A -0.0335
397 I A 0.8268
398 G A -0.0996
399 A A -0.5255
400 N A -0.6709
401 P A 0.0000
402 C A 0.0000
403 E A -2.7071
404 H A -1.6201
405 L A -0.6177
406 G A 0.0000
407 R A -1.4053
408 C A 0.0000
409 V A 0.2547
410 N A -0.4820
411 T A -0.5831
412 Q A -1.8446
413 G A -1.6136
414 S A -0.4825
415 F A -0.0083
416 L A 0.5696
417 C A -0.8674
418 Q A -1.3675
419 C A -1.8316
420 G A -1.4716
421 R A -1.9969
422 G A 0.0000
423 Y A -1.5330
424 T A -1.7170
425 G A -1.5765
426 P A -1.2966
427 R A -2.5770
428 C A 0.0000
429 E A -2.7176
430 T A -2.0018
431 D A -2.1076
432 V A -0.9956
433 N A -0.7501
434 E A -0.6838
435 C A -0.0368
436 L A 1.0377
437 S A 0.1536
438 G A -0.5068
439 P A -0.3290
440 C A -0.5074
441 R A -2.2819
442 N A -1.8543
443 Q A -1.7494
444 A A -0.3060
445 T A 0.4018
446 C A 0.4888
447 L A 0.3221
448 D A -1.0122
449 R A -1.6280
450 I A -0.2303
451 G A -1.2773
452 Q A -1.5674
453 F A -0.4641
454 T A 0.2941
455 C A 1.0745
456 I A 2.4176
457 C A 0.8278
458 M A 0.2544
459 A A 0.3198
460 G A 0.0000
461 F A -0.2083
462 T A 0.0519
463 G A 0.0950
464 T A 0.4076
465 Y A 0.4818
466 C A 0.0000
467 E A -1.0201
468 V A -0.2770
469 D A -1.8268
470 I A -1.4652
471 D A -3.0774
472 E A -2.9306
473 C A -2.1282
474 Q A -2.2228
475 S A -1.3341
476 S A -0.5232
477 P A -0.1790
478 C A 0.2930
479 V A 0.5137
480 N A -0.7471
481 G A -0.2504
482 G A 0.3864
483 V A 1.2756
484 C A -0.4575
485 K A -2.0760
486 D A -3.5078
487 R A -2.8399
488 V A -0.6162
489 N A -1.4845
490 G A -1.4641
491 F A -1.5729
492 S A -0.7487
493 C A 0.2356
494 T A 0.4030
495 C A 0.3503
496 P A -0.3415
497 S A -0.9688
498 G A -1.9631
499 F A -1.0837
500 S A -0.6478
501 G A -0.5489
502 S A -0.2524
503 T A 0.0251
504 C A 0.0000
505 Q A -1.0231
506 L A -0.4279
507 D A -2.5958
508 V A -1.9771
509 D A -2.9195
510 E A -2.7335
511 C A -1.6624
512 A A -1.0080
513 S A -0.7124
514 T A -1.0179
515 P A -1.0293
516 C A 0.0000
517 R A -3.4920
518 N A -3.0400
519 G A -2.4206
520 A A -2.9381
521 K A -2.9627
522 C A -2.2350
523 V A -1.8484
524 D A -3.1490
525 Q A -2.8305
526 P A -2.5699
527 D A -2.9192
528 G A -2.1428
529 Y A -1.9717
530 E A -2.1881
531 C A -2.2862
532 R A -2.8728
533 C A -2.9507
534 A A -1.9800
535 E A -1.7298
536 G A -0.9505
537 F A -2.2698
538 E A -3.2053
539 G A -2.1562
540 T A -1.4968
541 L A -1.9043
542 C A 0.0000
543 D A -3.6384
544 R A -3.5762
545 N A -2.0207
546 V A -1.3298
547 D A -1.8937
548 D A -1.2903
549 C A -1.5915
550 S A -1.5639
551 P A -1.5594
552 D A -2.6850
553 P A -1.9325
554 C A 0.0000
555 H A -2.4321
556 H A -1.8777
557 G A -1.7770
558 R A -2.2001
559 C A -1.1947
560 V A 0.0217
561 D A -0.6533
562 G A 0.4706
563 I A 1.2809
564 A A 0.0753
565 S A 0.1608
566 F A 0.0635
567 S A -0.2289
568 C A -1.0354
569 A A -0.4568
570 C A -0.8534
571 A A -0.7771
572 P A -0.3968
573 G A -0.9085
574 Y A -0.9186
575 T A -0.8668
576 G A -1.0979
577 T A -0.9542
578 R A -2.2421
579 C A 0.0000
580 E A -2.1683
581 S A -1.6067
582 Q A -1.7062
583 V A -1.5901
584 D A -3.1393
585 E A -3.0567
586 C A 0.0000
587 R A -3.2831
588 S A -2.1883
589 Q A -2.8477
590 P A -1.4941
591 C A -1.6766
592 R A -2.4117
593 H A -1.5119
594 G A -1.8771
595 G A -2.1260
596 K A -2.7829
597 C A 0.0000
598 L A -1.0669
599 D A -2.2196
600 L A -0.5119
601 V A -0.1618
602 D A -2.2509
603 K A -2.0641
604 Y A -0.6489
605 L A 0.4663
606 C A -0.8229
607 R A -1.8417
608 C A -1.2507
609 P A -1.3186
610 S A -0.8137
611 G A -0.9586
612 T A 0.0000
613 T A 0.0257
614 G A 0.2829
615 V A 1.4456
616 N A -0.3747
617 C A 0.0000
618 E A -0.5229
619 V A 0.5459
620 N A -0.8294
621 I A -0.5926
622 D A -2.3485
623 D A -2.7558
624 C A -2.0428
625 A A -1.0696
626 S A -1.1698
627 N A -1.3424
628 P A -0.5869
629 C A -0.0665
630 T A 0.2263
631 F A 0.7960
632 G A 0.4411
633 V A 0.7196
634 C A 0.0000
635 R A -2.5865
636 D A -2.7345
637 G A -2.0676
638 I A -0.8506
639 N A -2.2157
640 R A -2.9947
641 Y A -2.4659
642 D A -1.8270
643 C A -0.3629
644 V A 1.1043
645 C A 0.4865
646 Q A -1.1599
647 P A -1.5076
648 G A -2.0583
649 F A -0.8547
650 T A 0.0678
651 G A 0.2943
652 P A 0.0749
653 L A 0.6339
654 C A 0.0000
655 N A -0.5111
656 V A 0.3366
657 E A -1.7443
658 I A -1.1907
659 N A -1.9153
660 E A -1.7347
661 C A -0.8920
662 A A -0.6151
663 S A -0.4979
664 S A -0.5016
665 P A -0.3429
666 C A -0.1430
667 G A -0.5756
668 E A -1.9690
669 G A -1.1856
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2253 E A -2.4529
2254 H A -1.4421
2255 W A 0.1662
2256 A A -0.0443
2257 S A -0.1497
2258 P A -0.3990
2259 S A -0.5890
2260 P A -0.4710
2261 P A -0.2218
2262 S A 0.0793
2263 L A 0.9609
2264 S A -0.0850
2265 D A -1.0126
2266 W A -0.1246
2267 S A -0.9932
2268 E A -1.7836
2269 S A -1.3448
2270 T A -0.8045
2271 P A -0.4948
2272 S A -0.4769
2273 P A -0.4141
2274 A A -0.1566
2275 T A -0.1343
2276 A A -0.1393
2277 T A -0.3217
2278 G A -0.2571
2279 A A 0.3419
2280 M A 1.0059
2281 A A 0.5735
2282 T A 0.1564
2283 T A -0.2348
2284 T A -0.3385
2285 G A -0.1542
2286 A A 0.4746
2287 L A 1.3498
2288 P A 0.2772
2289 A A -0.4577
2290 Q A -1.0139
2291 P A -0.1173
2292 L A 1.3664
2293 P A 1.1778
2294 L A 2.0268
2295 S A 1.4230
2296 V A 1.8335
2297 P A 0.4185
2298 S A 0.2550
2299 S A 0.5044
2300 L A 1.1543
2301 A A 0.1139
2302 Q A -1.0664
2303 A A -1.1879
2304 Q A -1.7012
2305 T A -0.8916
2306 Q A -0.7126
2307 L A 0.5888
2308 G A -0.3772
2309 P A -0.8323
2310 Q A -1.9818
2311 P A -1.5076
2312 E A -1.3923
2313 V A 0.7403
2314 T A -0.0156
2315 P A -1.3960
2316 K A -2.8742
2317 R A -2.8881
2318 Q A -1.3049
2319 V A 1.3142
2320 L A 2.1691
2321 A A 1.2206
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Laboratory of Theory of Biopolymers 2018