Project name: C278Y

Status: done

Started: 2026-05-12 07:13:02
Settings
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDEYQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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                                        (00:00:03)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:18:05)
[INFO]       Main:     Simulation completed successfully.                                          (00:18:59)
Show buried residues

Minimal score value
-4.6977
Maximal score value
6.0588
Average score
-0.7453
Total score value
-1729.9479

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 0.7117
2 G A -0.1918
3 P A -0.4431
4 G A -0.9789
5 A A -1.3115
6 R A -2.5922
7 G A -2.9038
8 R A -3.8359
9 R A -4.2456
10 R A -4.5743
11 R A -4.5439
12 R A -4.1624
13 R A -3.0378
14 P A -1.3398
15 M A 0.3183
16 S A -0.1605
17 P A -0.3246
18 P A -0.5218
19 P A -0.6617
20 P A -0.6390
21 P A -0.2910
22 P A 0.0776
23 P A 0.3894
24 V A 1.3441
25 R A -0.1909
26 A A 0.8529
27 L A 1.7591
28 P A 1.6327
29 L A 3.1805
30 L A 3.7832
31 L A 3.8797
32 L A 3.6188
33 L A 2.7746
34 A A 1.0882
35 G A -0.0327
36 P A -0.4909
37 G A -0.6434
38 A A -0.2691
39 A A -0.2903
40 A A 0.0163
41 P A -0.6468
42 P A -0.9568
43 C A -0.6612
44 L A 0.4466
45 D A -1.3199
46 G A -0.9648
47 S A -1.1268
48 P A -1.2254
49 C A -1.5901
50 A A -1.5308
51 N A -1.7329
52 G A -1.3329
53 G A 0.0000
54 R A -1.7178
55 C A 0.0000
56 T A -0.7050
57 Q A -1.3702
58 L A -0.9007
59 P A -1.1062
60 S A -1.6498
61 R A -2.8475
62 E A -2.7588
63 A A -1.8496
64 A A -1.2255
65 C A -0.9305
66 L A 0.5142
67 C A -0.2463
68 P A -0.1912
69 P A -0.4502
70 G A -1.0226
71 W A -1.1247
72 V A -0.9298
73 G A -1.1724
74 E A -2.3110
75 R A -2.7075
76 C A 0.0000
77 Q A -1.8596
78 L A -1.5549
79 E A -2.3034
80 D A -1.5752
81 P A -1.3329
82 C A -0.9053
83 H A -1.6188
84 S A -1.1456
85 G A -0.8593
86 P A -0.3804
87 C A -0.7259
88 A A -0.5476
89 G A -0.9525
90 R A -1.6297
91 G A -1.0212
92 V A 0.4724
93 C A -0.1177
94 Q A -0.4855
95 S A -0.3719
96 S A 0.0021
97 V A 0.7443
98 V A 1.5783
99 A A 0.6261
100 G A -0.1784
101 T A -0.1665
102 A A 0.0000
103 R A -1.3160
104 F A -0.5122
105 S A -0.6954
106 C A -0.8213
107 R A -1.6702
108 C A -1.1151
109 P A -1.2390
110 R A -1.7700
111 G A -0.3833
112 F A -0.3644
113 R A -0.6764
114 G A -0.5980
115 P A -0.7876
116 D A -0.8289
117 C A 0.0000
118 S A -0.3652
119 L A 0.3428
120 P A -0.1265
121 D A -0.1906
122 P A 0.1873
123 C A 0.3568
124 L A 0.7137
125 S A 0.2547
126 S A -0.1181
127 P A -0.2973
128 C A -1.0495
129 A A -1.5146
130 H A -1.6987
131 G A -1.2946
132 A A -1.4858
133 R A -1.7420
134 C A -0.0606
135 S A 0.0723
136 V A 0.2715
137 G A -0.4418
138 P A -1.1282
139 D A -2.1519
140 G A -1.3580
141 R A -1.6813
142 F A -0.2141
143 L A 0.5740
144 C A -0.4862
145 S A -0.7940
146 C A -1.2081
147 P A -0.7980
148 P A -0.4568
149 G A -0.7279
150 Y A -1.6806
151 Q A -2.3371
152 G A -2.4130
153 R A -2.2789
154 S A -1.8172
155 C A 0.0000
156 R A -2.8611
157 S A -2.1390
158 D A -1.6982
159 V A -1.0428
160 D A -1.1047
161 E A -1.3812
162 C A -1.4499
163 R A -1.7735
164 V A 0.1111
165 G A -1.0565
166 E A -2.4051
167 P A -1.7935
168 C A 0.0000
169 R A -2.9113
170 H A -2.1845
171 G A -1.7376
172 G A -1.7505
173 T A -1.2903
174 C A -1.4434
175 L A -0.4933
176 N A -1.1362
177 T A -0.7587
178 P A -0.8850
179 G A -1.0092
180 S A -0.7574
181 F A -0.9140
182 R A -1.8654
183 C A -1.6393
184 Q A -1.3596
185 C A -1.2995
186 P A -0.6925
187 A A -0.1518
188 G A 0.0052
189 Y A -0.6740
190 T A -0.7714
191 G A -1.1336
192 P A -1.1126
193 L A -1.4075
194 C A 0.0000
195 E A -1.7415
196 N A -1.6009
197 P A -0.6131
198 A A 0.1848
199 V A 0.8549
200 P A -0.0862
201 C A -0.2804
202 A A 0.0534
203 P A -0.0344
204 S A -0.6909
205 P A -1.1378
206 C A 0.0000
207 R A -2.6342
208 N A -1.7771
209 G A -1.2409
210 G A -1.5940
211 T A -1.1526
212 C A -1.8195
213 R A -2.9110
214 Q A -2.3480
215 S A -1.7002
216 G A -1.3390
217 D A -1.1133
218 L A 0.6833
219 T A -0.4849
220 Y A -1.5429
221 D A -2.7916
222 C A 0.0000
223 A A -0.9237
224 C A -0.8214
225 L A 0.2072
226 P A -0.0040
227 G A -0.4155
228 F A -1.0064
229 E A -2.0451
230 G A -1.8501
231 Q A -2.3689
232 N A -2.3294
233 C A 0.0000
234 E A -2.2492
235 V A -0.6891
236 N A -0.7927
237 V A -0.7330
238 D A -1.7417
239 D A -1.9664
240 C A -1.6847
241 P A -1.5069
242 G A -1.3741
243 H A -1.6488
244 R A -2.0647
245 C A -0.9417
246 L A 0.0912
247 N A -0.8503
248 G A -0.5958
249 G A -0.7970
250 T A -0.6232
251 C A -0.6462
252 V A -0.3191
253 D A -1.0558
254 G A -0.3545
255 V A 0.5957
256 N A -0.8530
257 T A -0.8193
258 Y A -1.4237
259 N A -1.6786
260 C A -1.2895
261 Q A -1.3604
262 C A -1.1716
263 P A -0.6808
264 P A -0.6958
265 E A -1.0880
266 W A -1.1854
267 T A -1.4025
268 G A -1.6472
269 Q A -1.9032
270 F A -1.2748
271 C A 0.0000
272 T A -1.1911
273 E A -2.1143
274 D A -1.4251
275 V A 0.0000
276 D A -1.0199
277 E A 0.0000
278 Y A -0.2732
279 Q A -0.7620
280 L A 0.2896
281 Q A -0.9706
282 P A -1.1523
283 N A -1.9580
284 A A -1.2482
285 C A 0.0000
286 H A -2.2478
287 N A -1.7739
288 G A -1.3301
289 G A -0.9022
290 T A -0.3285
291 C A 0.0000
292 F A -0.1075
293 N A -0.9209
294 T A -0.3186
295 L A 0.4234
296 G A -0.4455
297 G A -0.3485
298 H A -0.8224
299 S A -0.3979
300 C A -0.2861
301 V A 0.4577
302 C A -0.4084
303 V A -0.2155
304 N A -0.7268
305 G A 0.0000
306 W A -0.5834
307 T A -1.1182
308 G A -1.4630
309 E A -2.2143
310 S A -1.7099
311 C A 0.0000
312 S A -1.6734
313 Q A -1.8413
314 N A -1.3442
315 I A -0.8540
316 D A -2.0453
317 D A -1.1238
318 C A -0.5201
319 A A -0.2605
320 T A 0.0287
321 A A 0.8003
322 V A 1.9708
323 C A 1.6422
324 F A 1.0171
325 H A -0.7928
326 G A -0.4868
327 A A 0.2238
328 T A 0.2241
329 C A 0.2174
330 H A -0.8316
331 D A -1.4205
332 R A -1.5562
333 V A -0.2526
334 A A -0.4497
335 S A -0.5630
336 F A 0.1219
337 Y A 0.8922
338 C A 0.0000
339 A A 0.5996
340 C A 0.5522
341 P A 0.1735
342 M A 0.7873
343 G A -0.1106
344 K A -0.9949
345 T A -0.6599
346 G A 0.3367
347 L A 2.1591
348 L A 1.7185
349 C A 0.0000
350 H A -0.2094
351 L A -1.1111
352 D A -2.3986
353 D A -1.6653
354 A A -1.3165
355 C A -0.5633
356 V A 0.4784
357 S A -0.2652
358 N A -1.1088
359 P A -1.0655
360 C A -1.3102
361 H A -2.1708
362 E A -3.3646
363 D A -2.1821
364 A A -0.8474
365 I A 0.9791
366 C A -0.2172
367 D A -1.3281
368 T A 0.0000
369 N A -1.0800
370 P A -0.2914
371 V A 0.8464
372 N A -1.2541
373 G A -1.8435
374 R A -2.1637
375 A A -1.2971
376 I A -0.0713
377 C A -0.2327
378 T A 0.3483
379 C A -0.3149
380 P A 0.0000
381 P A -0.5398
382 G A -0.8714
383 F A -1.5679
384 T A -1.2310
385 G A -1.4106
386 G A -0.9547
387 A A -1.3002
388 C A 0.0000
389 D A -2.9485
390 Q A -2.6341
391 D A -2.1121
392 V A -1.0139
393 D A -0.8768
394 E A -0.4782
395 C A 0.0824
396 S A 0.7038
397 I A 1.2607
398 G A -0.1105
399 A A -0.4786
400 N A -1.3893
401 P A 0.0000
402 C A 0.0000
403 E A -2.6188
404 H A -1.2284
405 L A -0.0987
406 G A 0.0000
407 R A -1.8397
408 C A -0.8525
409 V A 0.1094
410 N A -0.5145
411 T A -0.4237
412 Q A -1.7469
413 G A -1.5568
414 S A -0.4325
415 F A 0.0801
416 L A 0.6991
417 C A -0.7137
418 Q A -0.9698
419 C A -1.5937
420 G A -1.3469
421 R A -1.7824
422 G A 0.0000
423 Y A -1.3015
424 T A -1.5315
425 G A -1.4051
426 P A -1.1295
427 R A -2.4300
428 C A 0.0000
429 E A -2.4119
430 T A -1.9537
431 D A -2.2710
432 V A -0.8728
433 N A -0.8505
434 E A -0.6947
435 C A -0.1867
436 L A 0.9963
437 S A 0.1770
438 G A -0.4802
439 P A -0.2869
440 C A -0.5749
441 R A -2.2570
442 N A -1.8576
443 Q A -1.7535
444 A A -0.3714
445 T A 0.1795
446 C A 0.1170
447 L A -0.2624
448 D A -1.7048
449 R A -1.8839
450 I A -0.2669
451 G A 0.0000
452 Q A -1.4410
453 F A -0.6646
454 T A 0.0177
455 C A 0.7863
456 I A 2.1101
457 C A 0.7622
458 M A 0.3731
459 A A 0.4109
460 G A -0.6725
461 F A -0.2311
462 T A 0.0159
463 G A 0.0722
464 T A 0.3820
465 Y A 0.4522
466 C A 0.0000
467 E A -0.9893
468 V A -0.2828
469 D A -1.6916
470 I A -1.3955
471 D A -2.8620
472 E A -2.6570
473 C A -1.8511
474 Q A -2.0624
475 S A -1.3331
476 S A -0.5273
477 P A -0.1785
478 C A 0.2303
479 V A 0.5144
480 N A -0.7156
481 G A -0.2382
482 G A 0.3198
483 V A 1.2784
484 C A -0.3844
485 K A -1.9580
486 D A -2.4430
487 R A -2.3385
488 V A -0.3358
489 N A -1.2908
490 G A -1.2275
491 F A -1.1902
492 S A -0.5921
493 C A 0.2784
494 T A 0.2827
495 C A 0.3488
496 P A -0.3548
497 S A -0.9776
498 G A -1.9496
499 F A -1.0697
500 S A -0.5868
501 G A -0.4516
502 S A -0.1879
503 T A 0.0500
504 C A 0.0000
505 Q A -0.9754
506 L A -0.3516
507 D A -2.5613
508 V A -1.9047
509 D A -2.8992
510 E A -2.7506
511 C A -1.6807
512 A A -1.0127
513 S A -0.7194
514 T A -0.9729
515 P A -0.9456
516 C A 0.0000
517 R A -3.1364
518 N A -2.5409
519 G A -2.1335
520 A A -2.7240
521 K A -2.8967
522 C A -2.2099
523 V A -1.9066
524 D A -3.2071
525 Q A -2.8270
526 P A -2.5722
527 D A -2.9104
528 G A -2.1381
529 Y A -1.9473
530 E A -2.1227
531 C A -2.1838
532 R A -2.8318
533 C A -2.9591
534 A A -1.9877
535 E A -1.9038
536 G A -1.3217
537 F A -2.7366
538 E A -3.5637
539 G A -2.1899
540 T A -1.3070
541 L A -1.4563
542 C A 0.0000
543 D A -3.7491
544 R A -4.0694
545 N A -3.1169
546 V A -2.1107
547 D A -2.5104
548 D A -1.6158
549 C A -1.7404
550 S A -1.6969
551 P A -1.6016
552 D A -2.7034
553 P A -1.9084
554 C A 0.0000
555 H A -2.4483
556 H A -1.8915
557 G A -1.7414
558 R A -2.1497
559 C A -1.1223
560 V A 0.1082
561 D A -1.0208
562 G A 0.1659
563 I A 0.9206
564 A A -0.2065
565 S A 0.0750
566 F A 0.0265
567 S A -0.1754
568 C A -0.9713
569 A A -0.4503
570 C A -0.8404
571 A A -0.5916
572 P A -0.3754
573 G A -0.7779
574 Y A -0.8974
575 T A -0.8505
576 G A -1.0963
577 T A -0.9164
578 R A -2.1553
579 C A 0.0000
580 E A -2.2482
581 S A -1.6208
582 Q A -1.6206
583 V A -1.3332
584 D A -2.7468
585 E A -2.4415
586 C A 0.0000
587 R A -3.0671
588 S A -2.0357
589 Q A -2.7720
590 P A -1.4840
591 C A 0.0000
592 R A -2.6790
593 H A -1.7279
594 G A -1.9788
595 G A -2.2467
596 K A -2.8467
597 C A 0.0000
598 L A -1.0421
599 D A -2.0690
600 L A -0.4313
601 V A -0.0529
602 D A -2.1046
603 K A -1.9036
604 Y A -0.6437
605 L A 0.4539
606 C A -0.8771
607 R A -1.8644
608 C A -1.3197
609 P A -1.3320
610 S A -0.7763
611 G A -0.8656
612 T A 0.0000
613 T A 0.0127
614 G A 0.2362
615 V A 1.3484
616 N A -0.4872
617 C A 0.0000
618 E A -0.6979
619 V A 0.5177
620 N A -0.7625
621 I A -0.3670
622 D A -2.2739
623 D A -2.7965
624 C A -2.1093
625 A A -1.0599
626 S A -1.1664
627 N A -1.3724
628 P A -0.6272
629 C A -0.0704
630 T A 0.3006
631 F A 0.9514
632 G A 0.4922
633 V A 0.6930
634 C A -0.6739
635 R A -2.7462
636 D A -2.8524
637 G A -2.1658
638 I A -0.7667
639 N A -2.1702
640 R A -3.1180
641 Y A -2.7611
642 D A -2.2386
643 C A -0.4999
644 V A 1.0474
645 C A 0.4882
646 Q A -1.0684
647 P A -1.4408
648 G A 0.0000
649 F A -0.8791
650 T A 0.0219
651 G A 0.1461
652 P A -0.0516
653 L A 0.5164
654 C A 0.0000
655 N A -0.3367
656 V A 0.1669
657 E A -1.8416
658 I A -1.1894
659 N A -1.9962
660 E A -1.7548
661 C A -0.9201
662 A A -0.6281
663 S A -0.5044
664 S A -0.5062
665 P A -0.3396
666 C A -0.1147
667 G A -0.5483
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2251 S A -1.9433
2252 P A -1.7669
2253 E A -2.4484
2254 H A -1.4401
2255 W A 0.1796
2256 A A -0.0296
2257 S A -0.1552
2258 P A -0.4040
2259 S A -0.5878
2260 P A -0.4697
2261 P A -0.2212
2262 S A 0.0783
2263 L A 0.9625
2264 S A -0.0956
2265 D A -1.0153
2266 W A -0.1190
2267 S A -0.9774
2268 E A -1.7881
2269 S A -1.3396
2270 T A -0.8007
2271 P A -0.4943
2272 S A -0.4747
2273 P A -0.4130
2274 A A -0.1636
2275 T A -0.0862
2276 A A -0.1224
2277 T A -0.2710
2278 G A -0.2451
2279 A A 0.3474
2280 M A 1.0025
2281 A A 0.5929
2282 T A 0.1498
2283 T A -0.2346
2284 T A -0.3422
2285 G A -0.1517
2286 A A 0.4740
2287 L A 1.3506
2288 P A 0.2752
2289 A A -0.4446
2290 Q A -0.9960
2291 P A -0.1295
2292 L A 1.3551
2293 P A 1.2285
2294 L A 2.0154
2295 S A 1.4067
2296 V A 1.8132
2297 P A 0.4257
2298 S A 0.2627
2299 S A 0.5028
2300 L A 1.1517
2301 A A 0.1187
2302 Q A -1.0684
2303 A A -1.1871
2304 Q A -1.7068
2305 T A -0.8933
2306 Q A -0.7173
2307 L A 0.5903
2308 G A -0.3719
2309 P A -0.8340
2310 Q A -1.9713
2311 P A -1.4631
2312 E A -1.3440
2313 V A 0.7088
2314 T A -0.0396
2315 P A -1.3755
2316 K A -2.8702
2317 R A -2.8927
2318 Q A -1.2904
2319 V A 1.3149
2320 L A 2.1744
2321 A A 1.2060
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Laboratory of Theory of Biopolymers 2018