Project name: C466S

Status: done

Started: 2026-05-14 00:39:31
Settings
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYSEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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                                          (00:30:23)
[INFO]       Main:     Simulation completed successfully.                                          (00:32:03)
Show buried residues

Minimal score value
-4.9559
Maximal score value
5.2307
Average score
-0.7637
Total score value
-1772.6482

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 0.7001
2 G A -0.1968
3 P A -0.7069
4 G A -1.0392
5 A A -1.5752
6 R A -2.9547
7 G A -3.0578
8 R A -4.1983
9 R A -4.6908
10 R A -4.9559
11 R A -4.8566
12 R A -4.3419
13 R A -3.3536
14 P A -1.4781
15 M A -0.0628
16 S A -0.2535
17 P A -0.3491
18 P A -0.5055
19 P A -0.7062
20 P A -0.7109
21 P A -0.3694
22 P A -0.3754
23 P A -0.1285
24 V A 0.8876
25 R A -0.6297
26 A A 0.5545
27 L A 1.8696
28 P A 1.7143
29 L A 3.3328
30 L A 3.9603
31 L A 3.9423
32 L A 3.7678
33 L A 2.7940
34 A A 1.1695
35 G A -0.0006
36 P A -0.4357
37 G A -0.5122
38 A A -0.3089
39 A A -0.8987
40 A A -0.9634
41 P A -0.5032
42 P A -0.6954
43 C A -0.5590
44 L A 0.5083
45 D A -1.2870
46 G A -0.9091
47 S A -1.1368
48 P A -1.2195
49 C A -1.6732
50 A A -1.6211
51 N A -1.5611
52 G A -1.1958
53 G A 0.0000
54 R A -1.7493
55 C A 0.0000
56 T A -0.7813
57 Q A -1.6159
58 L A -0.9883
59 P A -1.1429
60 S A -1.6722
61 R A -2.8980
62 E A -2.8096
63 A A -1.5928
64 A A -1.3179
65 C A -1.0422
66 L A 0.3922
67 C A -0.2947
68 P A -0.1845
69 P A -0.4291
70 G A -0.9864
71 W A -0.9142
72 V A -0.9908
73 G A -1.2728
74 E A -2.4632
75 R A -2.9195
76 C A 0.0000
77 Q A -2.0576
78 L A -1.6739
79 E A -2.3127
80 D A -1.6301
81 P A -1.3833
82 C A -1.0005
83 H A -1.6097
84 S A -1.1375
85 G A -0.8556
86 P A -0.5680
87 C A -0.7859
88 A A -0.5409
89 G A -0.9854
90 R A -1.8313
91 G A -1.0898
92 V A 0.3413
93 C A -0.3611
94 Q A -1.0446
95 S A -0.6029
96 S A -0.1493
97 V A 0.6475
98 V A 1.5636
99 A A 0.6185
100 G A -0.2138
101 T A -0.2407
102 A A 0.0000
103 R A -1.4102
104 F A -0.7806
105 S A -0.8793
106 C A -0.9582
107 R A -1.7579
108 C A -1.1516
109 P A -1.2959
110 R A -2.0430
111 G A -0.5748
112 F A -0.3922
113 R A -0.6507
114 G A -0.5853
115 P A -0.7602
116 D A -0.8112
117 C A 0.0000
118 S A -0.2886
119 L A 0.4254
120 P A -0.0205
121 D A -0.4291
122 P A -0.1380
123 C A -0.1569
124 L A 0.0962
125 S A -0.0200
126 S A -0.2852
127 P A -0.4902
128 C A -1.1916
129 A A -1.6601
130 H A -1.7160
131 G A -1.2843
132 A A -1.5922
133 R A -1.8623
134 C A -0.3562
135 S A -0.2021
136 V A -0.0850
137 G A -0.7512
138 P A -1.2584
139 D A -2.2972
140 G A -1.5697
141 R A -2.0027
142 F A -0.6728
143 L A -0.1353
144 C A -0.8269
145 S A -0.9645
146 C A -1.3186
147 P A -0.8263
148 P A -0.5462
149 G A -0.8167
150 Y A -1.7889
151 Q A -2.3701
152 G A -2.4385
153 R A -2.4145
154 S A -1.9263
155 C A 0.0000
156 R A -2.8931
157 S A -2.1922
158 D A -1.8270
159 V A -1.0113
160 D A -0.9882
161 E A -1.3657
162 C A -1.5341
163 R A -1.7790
164 V A 0.0027
165 G A -1.1644
166 E A -2.3051
167 P A -1.5719
168 C A -1.8861
169 R A -2.4995
170 H A -2.0260
171 G A -1.6748
172 G A -1.6312
173 T A -1.2309
174 C A -1.4559
175 L A -0.9008
176 N A -1.1679
177 T A -0.7849
178 P A -0.9203
179 G A -1.0511
180 S A -0.7890
181 F A -1.1281
182 R A -1.8845
183 C A -1.5974
184 Q A -1.3724
185 C A -1.2374
186 P A -0.6184
187 A A 0.1413
188 G A 0.0897
189 Y A -0.5627
190 T A -0.6615
191 G A -0.9036
192 P A -1.0232
193 L A -1.3173
194 C A 0.0000
195 E A -1.8253
196 N A -1.5359
197 P A -0.5383
198 A A 0.3566
199 V A 0.9931
200 P A 0.0000
201 C A -0.1659
202 A A 0.0969
203 P A -0.0061
204 S A -0.6857
205 P A -1.0328
206 C A -1.9596
207 R A -2.7196
208 N A -1.8627
209 G A -1.2723
210 G A -1.5245
211 T A -1.0215
212 C A -1.6046
213 R A -2.6915
214 Q A -2.2333
215 S A -1.6089
216 G A -1.1933
217 D A -1.1335
218 L A 0.7060
219 T A -0.4146
220 Y A -1.3572
221 D A -2.1025
222 C A -1.9063
223 A A -0.7279
224 C A -0.7718
225 L A 0.1592
226 P A -0.0082
227 G A -0.4799
228 F A -1.0477
229 E A -2.0728
230 G A -1.9877
231 Q A -2.2337
232 N A -2.1950
233 C A 0.0000
234 E A -2.3295
235 V A -0.9212
236 N A -0.7417
237 V A -0.8470
238 D A -1.7010
239 D A -1.9143
240 C A -1.6530
241 P A -1.4117
242 G A -1.3822
243 H A -1.6358
244 R A -2.0740
245 C A 0.0000
246 L A 0.1349
247 N A -0.7881
248 G A -0.5743
249 G A -0.8281
250 T A -0.5864
251 C A -0.7756
252 V A -0.2210
253 D A -0.9313
254 G A -0.2855
255 V A 0.4843
256 N A -0.8392
257 T A -0.7828
258 Y A -1.3318
259 N A -1.6210
260 C A -1.2692
261 Q A -1.3638
262 C A -1.0268
263 P A -0.6391
264 P A -0.7513
265 E A -1.0994
266 W A -1.0524
267 T A -1.3284
268 G A -1.6537
269 Q A -1.9143
270 F A -1.3087
271 C A 0.0000
272 T A -1.1810
273 E A -1.9975
274 D A -1.1846
275 V A -0.7995
276 D A -0.9636
277 E A -1.1240
278 C A -1.0188
279 Q A -1.1897
280 L A -0.0219
281 Q A -1.4741
282 P A -1.5271
283 N A -2.1257
284 A A -1.5191
285 C A 0.0000
286 H A -2.1340
287 N A -1.5762
288 G A -1.3285
289 G A -0.9174
290 T A -0.3552
291 C A -0.5227
292 F A 0.2804
293 N A -0.3727
294 T A 0.2466
295 L A 0.9136
296 G A -0.3191
297 G A -0.2665
298 H A -0.5829
299 S A -0.5851
300 C A -0.4722
301 V A -0.0504
302 C A -0.6653
303 V A 0.0000
304 N A -0.2283
305 G A 0.0000
306 W A -0.6916
307 T A -1.1929
308 G A -1.5695
309 E A -2.2787
310 S A -1.7882
311 C A 0.0000
312 S A -1.6736
313 Q A -2.0474
314 N A -1.2704
315 I A -0.8577
316 D A -2.0483
317 D A -0.9663
318 C A -0.4067
319 A A -0.2852
320 T A 0.1263
321 A A 0.6980
322 V A 1.9561
323 C A 1.7296
324 F A 1.0726
325 H A -0.6555
326 G A -0.4554
327 A A 0.3235
328 T A 0.3014
329 C A 0.3769
330 H A -0.6636
331 D A -1.2076
332 R A -1.3566
333 V A 0.1572
334 A A 0.0000
335 S A -0.4041
336 F A 0.2872
337 Y A 1.3628
338 C A 1.5707
339 A A 0.7375
340 C A 0.6815
341 P A 0.2143
342 M A 0.8105
343 G A -0.0197
344 K A -0.8050
345 T A -0.3896
346 G A 0.7099
347 L A 2.4298
348 L A 1.8812
349 C A 0.0000
350 H A 0.0441
351 L A -0.9853
352 D A -2.3220
353 D A -1.5819
354 A A -1.2885
355 C A -0.3161
356 V A 0.7829
357 S A -0.1429
358 N A -1.0517
359 P A -1.0911
360 C A 0.0000
361 H A -2.2064
362 E A -2.8861
363 D A -2.1990
364 A A -0.7946
365 I A 1.1069
366 C A 0.0910
367 D A -0.6718
368 T A -0.9271
369 N A -0.6794
370 P A 0.0084
371 V A 0.8738
372 N A -1.8850
373 G A 0.0000
374 R A -2.2849
375 A A -0.9202
376 I A 0.2176
377 C A 0.1398
378 T A 0.4631
379 C A -0.2876
380 P A -0.3487
381 P A -0.4957
382 G A -0.9595
383 F A -1.4982
384 T A -1.1077
385 G A -1.3860
386 G A -1.0560
387 A A -1.2659
388 C A 0.0000
389 D A -2.9496
390 Q A -2.6119
391 D A -2.1081
392 V A -0.9639
393 D A -0.9144
394 E A -0.2038
395 C A -0.0905
396 S A 0.1641
397 I A 1.2473
398 G A 0.1808
399 A A -0.4858
400 N A -1.5288
401 P A -0.9910
402 C A 0.0000
403 E A -2.5307
404 H A -1.7481
405 L A -0.1273
406 G A 0.0000
407 R A -2.0927
408 C A 0.0000
409 V A 0.1490
410 N A -0.3937
411 T A -0.4473
412 Q A -1.7224
413 G A -1.5294
414 S A -0.2921
415 F A 0.2441
416 L A 0.7512
417 C A -0.8995
418 Q A -1.6496
419 C A -1.6245
420 G A -1.3772
421 R A -2.0414
422 G A -1.4031
423 Y A -1.4014
424 T A -1.6000
425 G A -1.3744
426 P A -1.0020
427 R A -2.1969
428 C A 0.0000
429 E A -2.4190
430 T A -1.8407
431 D A -2.1933
432 V A -1.0705
433 N A -0.8398
434 E A -0.8926
435 C A -0.0753
436 L A 0.9293
437 S A 0.0988
438 G A -0.5003
439 P A -0.3312
440 C A -0.8218
441 R A -2.3536
442 N A -1.8999
443 Q A -1.8431
444 A A -0.4640
445 T A 0.2447
446 C A 0.4481
447 L A 0.5473
448 D A -1.0222
449 R A -1.5816
450 I A -0.2202
451 G A 0.0000
452 Q A -1.5102
453 F A -0.4778
454 T A 0.2273
455 C A 0.7745
456 I A 1.7933
457 C A 0.6900
458 M A 0.1772
459 A A 0.2823
460 G A -0.6471
461 F A -0.2320
462 T A 0.3410
463 G A -0.0109
464 T A 0.2029
465 Y A 0.1472
466 S A 0.0000
467 E A -1.0862
468 V A -0.2234
469 D A -1.7296
470 I A -1.3171
471 D A -3.2245
472 E A -3.0975
473 C A -2.2767
474 Q A -2.2687
475 S A -1.3728
476 S A -0.6667
477 P A -0.0674
478 C A 0.3175
479 V A 0.5703
480 N A -0.7335
481 G A -0.2694
482 G A 0.3805
483 V A 1.2598
484 C A -0.3739
485 K A -2.3118
486 D A -3.6580
487 R A -2.9303
488 V A -0.6652
489 N A -1.5338
490 G A -1.5520
491 F A -1.7320
492 S A -0.8366
493 C A 0.2098
494 T A 0.3790
495 C A 0.3509
496 P A -0.3123
497 S A -0.8888
498 G A -1.5896
499 F A -0.9538
500 S A -0.5783
501 G A -0.4987
502 S A -0.2323
503 T A 0.0574
504 C A 0.0000
505 Q A -0.9838
506 L A -0.3315
507 D A -2.3434
508 V A -1.6188
509 D A -2.6004
510 E A -2.2156
511 C A -1.4842
512 A A -0.8145
513 S A -0.5630
514 T A -0.8364
515 P A -0.7050
516 C A 0.0000
517 R A -3.0689
518 N A -3.0640
519 G A -2.2732
520 A A -2.8792
521 K A -2.9704
522 C A -2.2908
523 V A -2.0601
524 D A -3.1885
525 Q A -2.7389
526 P A -2.3036
527 D A -2.7567
528 G A -2.0328
529 Y A -1.9776
530 E A -2.5633
531 C A -2.4521
532 R A -3.1233
533 C A -2.9107
534 A A -1.9091
535 E A -1.9759
536 G A -1.3182
537 F A -2.7545
538 E A -3.2886
539 G A -2.2802
540 T A -1.5186
541 L A -1.9745
542 C A 0.0000
543 D A -3.8069
544 R A -3.8755
545 N A -3.1182
546 V A -1.8793
547 D A -2.3850
548 D A -1.7337
549 C A -1.8721
550 S A -1.7171
551 P A -1.5757
552 D A -2.7546
553 P A -1.7801
554 C A -2.0935
555 H A -2.5482
556 H A -2.0236
557 G A -1.8097
558 R A -2.2472
559 C A 0.0000
560 V A -0.1136
561 D A -1.6063
562 G A -0.1170
563 I A 0.6351
564 A A -0.2268
565 S A -0.0332
566 F A -0.3111
567 S A -0.3593
568 C A -0.9925
569 A A -0.3916
570 C A -0.9797
571 A A -0.8403
572 P A -0.6846
573 G A -0.9250
574 Y A -1.1981
575 T A -1.0776
576 G A -1.2955
577 T A -1.0595
578 R A -2.4395
579 C A 0.0000
580 E A -2.6513
581 S A -1.8696
582 Q A -1.6159
583 V A -1.6770
584 D A -2.6787
585 E A -2.3678
586 C A 0.0000
587 R A -3.0613
588 S A -1.9928
589 Q A -2.6850
590 P A -1.5584
591 C A 0.0000
592 R A -2.6241
593 H A -1.5993
594 G A -2.0651
595 G A -2.2225
596 K A -2.8093
597 C A 0.0000
598 L A -0.9033
599 D A -1.7625
600 L A -0.0408
601 V A 0.0910
602 D A -2.0612
603 K A -1.8338
604 Y A -0.4973
605 L A 0.2309
606 C A -1.0300
607 R A -2.0928
608 C A -1.2492
609 P A -1.1899
610 S A -0.5670
611 G A -0.6822
612 T A 0.0000
613 T A 0.0639
614 G A 0.2645
615 V A 1.3410
616 N A -0.5052
617 C A 0.0000
618 E A -0.5281
619 V A 0.5683
620 N A -0.6813
621 I A -0.3078
622 D A -2.2016
623 D A -2.7505
624 C A -2.1168
625 A A -1.0614
626 S A -1.1815
627 N A -1.3139
628 P A -0.3861
629 C A 0.1562
630 T A 0.5818
631 F A 1.3187
632 G A 0.7008
633 V A 1.2186
634 C A -0.6660
635 R A -2.6755
636 D A -2.6683
637 G A -2.0882
638 I A -0.7301
639 N A -2.1120
640 R A -3.0091
641 Y A -2.4947
642 D A -2.2961
643 C A 0.0000
644 V A 0.5131
645 C A 0.2508
646 Q A -0.6702
647 P A -1.3035
648 G A 0.0000
649 F A -0.5982
650 T A 0.1258
651 G A 0.2936
652 P A -0.1831
653 L A 0.7827
654 C A 0.0000
655 N A -0.2848
656 V A 0.6192
657 E A -1.5172
658 I A -1.0686
659 N A -1.8497
660 E A -1.7491
661 C A -0.9063
662 A A -0.6267
663 S A -0.5147
664 S A -0.5152
665 P A -0.3586
666 C A -0.1493
667 G A -0.6990
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2254 H A -1.3915
2255 W A 0.1471
2256 A A 0.0066
2257 S A -0.2606
2258 P A -0.4023
2259 S A -0.6066
2260 P A -0.4539
2261 P A -0.2933
2262 S A 0.2851
2263 L A 0.9657
2264 S A -0.0863
2265 D A -1.1627
2266 W A -0.1030
2267 S A -1.1003
2268 E A -1.9924
2269 S A -1.2724
2270 T A -0.7935
2271 P A -0.5024
2272 S A -0.5017
2273 P A -0.4153
2274 A A -0.1813
2275 T A -0.1024
2276 A A -0.1029
2277 T A -0.2790
2278 G A -0.2016
2279 A A 0.3028
2280 M A 0.9795
2281 A A 0.5143
2282 T A 0.0972
2283 T A -0.1322
2284 T A -0.3728
2285 G A -0.1908
2286 A A 0.6095
2287 L A 1.2464
2288 P A 0.1865
2289 A A -0.3404
2290 Q A -0.8414
2291 P A -0.1636
2292 L A 1.3227
2293 P A 1.0593
2294 L A 2.0261
2295 S A 1.4100
2296 V A 1.8380
2297 P A 0.3999
2298 S A 0.2873
2299 S A 0.3974
2300 L A 1.1496
2301 A A 0.1401
2302 Q A -1.0241
2303 A A -1.1569
2304 Q A -1.6897
2305 T A -0.9790
2306 Q A -0.8371
2307 L A 0.6437
2308 G A -0.2424
2309 P A -0.8148
2310 Q A -1.9598
2311 P A -1.3881
2312 E A -1.2599
2313 V A 0.6307
2314 T A -0.2858
2315 P A -1.3461
2316 K A -3.0171
2317 R A -3.0406
2318 Q A -1.4267
2319 V A 1.6202
2320 L A 2.2518
2321 A A 1.1950
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Laboratory of Theory of Biopolymers 2018