Project name: HAH5

Status: done

Started: 2026-05-13 19:24:56
Settings
Chain sequence(s) A: MDWTWILFLVAAATRVHSENIVLLLAIVSLVKSDQICIGYHANNSTEQVDTIMEKNVTVTHAQDILEKTHNGKLCDLNGVKPLILKDCSVAGWLLGNPMCDEFIRVPEWSYIVERANPANDLCYPGSLNDYEELKHMLSRINHFEKIQIIPKSSWPNHETSLGVSAACPYQGAPSFFRNVVWLIKKNDAYPTIKISYNNTNREDLLILWGIHHSNNAEEQTNLYKNPITYISVGTSTLNQRLAPKIATRSQVNGQRGRMDFFWTILKPDDAIHFESNGNFIAPEYAYKIVKKGDSTIMKSGVEYGHCNTKCQTPVGAINSSMPFHNIHPLTIGECPKYVKSNKLVLATGLRNSPQRETRGLFGAIAGFIEGGWQGMVDGWYGYHHSNEQGSGYAADKESTQKAIDGVTNKVNSIIDKMNTQFEAVGREFNNLERRIENLNKKMEDGFLDVWTYNAELLVLMENERTLDFHDSNVKNLYDKVRLQLRDNAKELGNGCFEFYHKCDNECMESVRNGTYDGSENLWFQGGYIPEAPRDGQAYVRKDGEWVLLSTFLGSAGHHHHHH
C: MDWTWILFLVAAATRVHSENIVLLLAIVSLVKSDQICIGYHANNSTEQVDTIMEKNVTVTHAQDILEKTHNGKLCDLNGVKPLILKDCSVAGWLLGNPMCDEFIRVPEWSYIVERANPANDLCYPGSLNDYEELKHMLSRINHFEKIQIIPKSSWPNHETSLGVSAACPYQGAPSFFRNVVWLIKKNDAYPTIKISYNNTNREDLLILWGIHHSNNAEEQTNLYKNPITYISVGTSTLNQRLAPKIATRSQVNGQRGRMDFFWTILKPDDAIHFESNGNFIAPEYAYKIVKKGDSTIMKSGVEYGHCNTKCQTPVGAINSSMPFHNIHPLTIGECPKYVKSNKLVLATGLRNSPQRETRGLFGAIAGFIEGGWQGMVDGWYGYHHSNEQGSGYAADKESTQKAIDGVTNKVNSIIDKMNTQFEAVGREFNNLERRIENLNKKMEDGFLDVWTYNAELLVLMENERTLDFHDSNVKNLYDKVRLQLRDNAKELGNGCFEFYHKCDNECMESVRNGTYDGSENLWFQGGYIPEAPRDGQAYVRKDGEWVLLSTFLGSAGHHHHHH
B: MDWTWILFLVAAATRVHSENIVLLLAIVSLVKSDQICIGYHANNSTEQVDTIMEKNVTVTHAQDILEKTHNGKLCDLNGVKPLILKDCSVAGWLLGNPMCDEFIRVPEWSYIVERANPANDLCYPGSLNDYEELKHMLSRINHFEKIQIIPKSSWPNHETSLGVSAACPYQGAPSFFRNVVWLIKKNDAYPTIKISYNNTNREDLLILWGIHHSNNAEEQTNLYKNPITYISVGTSTLNQRLAPKIATRSQVNGQRGRMDFFWTILKPDDAIHFESNGNFIAPEYAYKIVKKGDSTIMKSGVEYGHCNTKCQTPVGAINSSMPFHNIHPLTIGECPKYVKSNKLVLATGLRNSPQRETRGLFGAIAGFIEGGWQGMVDGWYGYHHSNEQGSGYAADKESTQKAIDGVTNKVNSIIDKMNTQFEAVGREFNNLERRIENLNKKMEDGFLDVWTYNAELLVLMENERTLDFHDSNVKNLYDKVRLQLRDNAKELGNGCFEFYHKCDNECMESVRNGTYDGSENLWFQGGYIPEAPRDGQAYVRKDGEWVLLSTFLGSAGHHHHHH
input PDB
Selected Chain(s) A,B,C
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:27:22)
[INFO]       Main:     Simulation completed successfully.                                          (00:27:52)
Show buried residues

Minimal score value
-3.8803
Maximal score value
4.4642
Average score
-0.6427
Total score value
-1085.4429

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 0.4446
2 D A -0.6868
3 W A 0.9987
4 T A 1.5023
5 W A 3.0000
6 I A 4.0088
7 L A 4.1779
8 F A 4.4642
9 L A 3.9882
10 V A 3.2321
11 A A 1.6177
12 A A 0.4537
13 A A 0.0280
14 T A -0.5342
15 R A -1.2931
16 V A 0.0848
17 H A -1.4221
18 S A -1.3517
19 E A -1.7363
20 N A -0.5353
21 I A 2.4143
22 V A 3.5913
23 L A 4.1394
24 L A 4.2891
25 L A 4.0204
26 A A 3.0670
27 I A 3.8245
28 V A 3.6688
29 S A 2.4425
30 L A 2.6525
31 V A 1.7377
32 K A -0.7966
33 S A -0.7805
34 D A 0.0000
35 Q A -0.9713
36 I A 0.0000
37 C A -0.2018
38 I A 0.0000
39 G A 0.0000
40 Y A 0.0000
41 H A 0.0000
42 A A 0.0000
43 N A -1.2735
44 N A -1.9104
45 S A -1.4961
46 T A -1.5688
47 E A -2.5484
48 Q A -2.2921
49 V A 0.0000
50 D A -1.6442
51 T A 0.0000
52 I A 0.0000
53 M A 0.0000
54 E A -1.6611
55 K A -2.5641
56 N A -2.6021
57 V A 0.0000
58 T A -1.6558
59 V A 0.0000
60 T A 0.0000
61 H A -1.1217
62 A A -1.2589
63 Q A -1.3556
64 D A -1.4143
65 I A 0.0000
66 L A 0.0000
67 E A -1.2862
68 K A -1.5031
69 T A -1.1106
70 H A -1.3402
71 N A -1.2514
72 G A -1.0279
73 K A -1.6953
74 L A 0.0000
75 C A 0.0000
76 D A 0.0000
77 L A -1.7064
78 N A -2.3572
79 G A -1.6267
80 V A -1.1538
81 K A -2.0915
82 P A -0.7836
83 L A 0.0000
84 I A 0.0000
85 L A 0.0000
86 K A -2.2556
87 D A -2.4866
88 C A 0.0000
89 S A 0.0000
90 V A 0.0000
91 A A 0.0000
92 G A 0.0000
93 W A 0.0000
94 L A 0.0000
95 L A 0.0000
96 G A 0.0000
97 N A 0.0000
98 P A 0.0000
99 M A -0.3807
100 C A 0.0000
101 D A -1.4163
102 E A -2.2673
103 F A 0.0000
104 I A -1.1523
105 R A -2.3073
106 V A -1.3969
107 P A -1.2768
108 E A -1.3251
109 W A 0.0000
110 S A 0.0000
111 Y A 0.0000
112 I A 0.0000
113 V A 0.0000
114 E A 0.0000
115 R A -1.5310
116 A A -1.1897
117 N A -1.8654
118 P A -1.7941
119 A A -1.2002
120 N A -1.1777
121 D A -1.1817
122 L A -0.5027
123 C A 0.0000
124 Y A 0.0000
125 P A 0.0000
126 G A -0.4017
127 S A -0.5926
128 L A 0.0000
129 N A -0.9219
130 D A -1.0279
131 Y A -0.6081
132 E A -0.7636
133 E A 0.0000
134 L A 0.0000
135 K A 0.0000
136 H A -0.7584
137 M A -0.6838
138 L A 0.0000
139 S A -1.5346
140 R A -3.1944
141 I A 0.0000
142 N A 0.0000
143 H A -1.5503
144 F A 0.0000
145 E A -1.8367
146 K A -1.0450
147 I A -0.4308
148 Q A -0.6510
149 I A 0.0000
150 I A 0.0000
151 P A -0.8470
152 K A -1.4645
153 S A -0.9973
154 S A -0.7593
155 W A 0.0000
156 P A -1.3324
157 N A -2.0191
158 H A 0.0000
159 E A -1.2643
160 T A -0.5390
161 S A 0.3199
162 L A 1.3662
163 G A 0.0000
164 V A 1.1086
165 S A 0.0000
166 A A -0.2050
167 A A -0.3459
168 C A 0.0000
169 P A -0.1884
170 Y A -0.2850
171 Q A -1.1688
172 G A -0.9428
173 A A -0.4355
174 P A -0.0047
175 S A 0.1590
176 F A 0.0000
177 F A 0.0000
178 R A -0.5694
179 N A 0.0000
180 V A 0.0000
181 V A 0.0000
182 W A 0.0000
183 L A 0.0000
184 I A 0.0000
185 K A -2.1227
186 K A -2.5412
187 N A -2.7759
188 D A -3.1728
189 A A -2.1506
190 Y A 0.0000
191 P A -1.0990
192 T A -0.7270
193 I A 0.0000
194 K A -1.7234
195 I A -0.6133
196 S A -0.6336
197 Y A -0.4979
198 N A -1.9741
199 N A 0.0000
200 T A -1.7746
201 N A -2.0422
202 R A -2.5966
203 E A -1.9678
204 D A -1.4312
205 L A 0.0000
206 L A 0.0000
207 I A 0.0000
208 L A 0.0000
209 W A 0.0000
210 G A 0.0000
211 I A 0.0000
212 H A 0.0000
213 H A 0.0000
214 S A 0.0000
215 N A -1.2331
216 N A -1.3953
217 A A -1.3383
218 E A -2.7315
219 E A -2.0917
220 Q A 0.0000
221 T A -2.0987
222 N A -2.5731
223 L A -1.4879
224 Y A 0.0000
225 K A -2.3867
226 N A -0.6779
227 P A -0.0849
228 I A 1.7412
229 T A 0.0000
230 Y A 0.4088
231 I A 0.0000
232 S A 0.0000
233 V A 0.0000
234 G A 0.0000
235 T A 0.0000
236 S A -0.8080
237 T A -0.2722
238 L A 0.0455
239 N A -0.4584
240 Q A -0.5898
241 R A -0.9297
242 L A -0.3093
243 A A 0.2550
244 P A 0.0841
245 K A -0.7177
246 I A -0.1668
247 A A 0.0000
248 T A -0.8455
249 R A 0.0000
250 S A -1.2841
251 Q A -1.9376
252 V A -1.2440
253 N A -1.7271
254 G A -1.5903
255 Q A -1.6032
256 R A -1.8311
257 G A 0.0000
258 R A 0.0000
259 M A 0.0000
260 D A -0.5029
261 F A 0.0000
262 F A -0.0838
263 W A 0.1007
264 T A 0.0436
265 I A -0.0761
266 L A 0.0000
267 K A -2.6445
268 P A -2.6881
269 D A -3.0229
270 D A -2.1227
271 A A 0.0000
272 I A 0.0000
273 H A -0.5874
274 F A 0.0000
275 E A -0.9960
276 S A 0.0000
277 N A -0.3774
278 G A 0.0000
279 N A 0.0000
280 F A 0.0000
281 I A 0.0000
282 A A 0.0000
283 P A 0.0000
284 E A 0.0000
285 Y A -0.0897
286 A A 0.0000
287 Y A 0.0000
288 K A -0.9460
289 I A 0.0000
290 V A -1.0374
291 K A -2.3479
292 K A -3.0981
293 G A -2.8199
294 D A -3.0142
295 S A -1.7513
296 T A -0.7221
297 I A -0.3279
298 M A 0.0000
299 K A -0.9803
300 S A 0.0000
301 G A -1.3149
302 V A -1.0651
303 E A -2.0958
304 Y A -1.4583
305 G A -1.4460
306 H A -1.7240
307 C A -1.4011
308 N A -2.3769
309 T A 0.0000
310 K A -2.4207
311 C A 0.0000
312 Q A 0.0000
313 T A 0.0000
314 P A 0.0000
315 V A -0.0197
316 G A 0.0000
317 A A 0.0000
318 I A 0.0000
319 N A -1.9846
320 S A -0.9565
321 S A -0.3652
322 M A -0.2998
323 P A -0.3876
324 F A 0.0000
325 H A 0.0000
326 N A -1.4702
327 I A -0.4639
328 H A -0.3662
329 P A -0.8768
330 L A -0.1707
331 T A -0.4198
332 I A -0.8821
333 G A -1.8803
334 E A -2.4925
335 C A -1.2417
336 P A 0.0000
337 K A -0.9274
338 Y A -0.6978
339 V A 0.0000
340 K A -2.2440
341 S A 0.0000
342 N A -2.5325
343 K A -2.5165
344 L A 0.0000
345 V A 0.0000
346 L A 0.0000
347 A A 0.0000
348 T A -0.1789
349 G A 0.0000
350 L A 0.0000
351 R A 0.0000
352 N A 0.0000
353 S A -1.7171
354 P A -1.8303
355 Q A -2.5466
356 R A -2.9791
357 E A -1.9682
358 T A -1.0767
359 R A -0.8357
360 G A 0.0000
361 L A 0.1178
362 F A 0.1466
363 G A 0.0000
364 A A 0.0000
365 I A 0.0000
366 A A -1.5368
367 G A -1.1886
368 F A -1.1364
369 I A 0.0000
370 E A -2.6444
371 G A -1.8415
372 G A -0.8712
373 W A -0.3595
374 Q A -1.2070
375 G A -0.5947
376 M A 0.0000
377 V A 0.6031
378 D A -1.1558
379 G A -1.0856
380 W A -0.2693
381 Y A 0.0000
382 G A 0.0000
383 Y A 0.0000
384 H A -0.0346
385 H A -0.7747
386 S A -1.5065
387 N A -2.5852
388 E A -3.1188
389 Q A -2.7256
390 G A -1.8214
391 S A -0.9954
392 G A -0.0332
393 Y A 0.4345
394 A A -0.2486
395 A A -0.8882
396 D A -2.0955
397 K A -3.3362
398 E A -3.2911
399 S A 0.0000
400 T A 0.0000
401 Q A -2.5292
402 K A -2.0590
403 A A 0.0000
404 I A -0.5856
405 D A -1.4006
406 G A 0.0000
407 V A 0.0000
408 T A -0.7223
409 N A -1.1445
410 K A 0.0000
411 V A -0.7576
412 N A -1.6973
413 S A -1.5921
414 I A 0.0000
415 I A -1.2683
416 D A -2.5335
417 K A -1.7588
418 M A 0.0000
419 N A -1.9506
420 T A -1.4666
421 Q A 0.0000
422 F A 0.0000
423 E A -1.7788
424 A A -1.2267
425 V A -0.3712
426 G A -0.6218
427 R A -0.8105
428 E A -0.9761
429 F A -1.0362
430 N A -1.4887
431 N A -1.5394
432 L A -0.5667
433 E A -1.1015
434 R A -1.4394
435 R A 0.0000
436 I A -0.6000
437 E A -1.4134
438 N A -1.2084
439 L A 0.0000
440 N A 0.0000
441 K A -2.3560
442 K A -2.0077
443 M A 0.0000
444 E A -2.0097
445 D A -2.6345
446 G A 0.0000
447 F A 0.0000
448 L A 0.0000
449 D A -1.1710
450 V A 0.0000
451 W A 0.0000
452 T A 0.0000
453 Y A 0.0000
454 N A 0.0000
455 A A 0.0000
456 E A -0.8649
457 L A 0.0000
458 L A 0.0000
459 V A 0.0000
460 L A 0.0000
461 M A 0.0000
462 E A 0.0000
463 N A 0.0000
464 E A 0.0000
465 R A -0.2759
466 T A 0.0000
467 L A 0.0000
468 D A -0.1682
469 F A 0.0000
470 H A 0.0000
471 D A 0.0000
472 S A 0.0000
473 N A 0.0000
474 V A 0.0000
475 K A -0.4553
476 N A -0.5750
477 L A 0.0000
478 Y A 0.0000
479 D A -0.9219
480 K A -1.2595
481 V A 0.0000
482 R A -1.4955
483 L A 0.0000
484 Q A -1.7041
485 L A 0.0000
486 R A -2.6013
487 D A -2.4576
488 N A 0.0000
489 A A 0.0000
490 K A -1.6788
491 E A -1.2828
492 L A -0.6088
493 G A -1.0503
494 N A -1.6429
495 G A 0.0000
496 C A -0.5575
497 F A 0.0000
498 E A -0.8909
499 F A 0.0000
500 Y A -0.3838
501 H A 0.0000
502 K A -1.4299
503 C A 0.0000
504 D A -3.2888
505 N A -3.1676
506 E A -2.9228
507 C A -2.4402
508 M A 0.0000
509 E A -2.5343
510 S A -2.1633
511 V A 0.0000
512 R A -1.6560
513 N A -2.1063
514 G A -1.6724
515 T A -1.3401
516 Y A -1.7261
517 D A -2.1001
518 G A -1.8159
519 S A -1.3082
520 E A -1.3945
521 N A -0.7307
522 L A 0.6186
523 W A 1.0344
524 F A 0.5979
525 Q A -0.8056
526 G A -0.6548
527 G A -0.5644
528 Y A -0.3270
529 I A 0.0000
530 P A -0.5779
531 E A -0.9675
532 A A 0.0000
533 P A -1.4454
534 R A -2.3983
535 D A -2.6498
536 G A -1.9929
537 Q A -1.6410
538 A A 0.0000
539 Y A 0.0000
540 V A 0.0000
541 R A 0.0000
542 K A -2.3483
543 D A -3.3454
544 G A -2.2416
545 E A -2.4897
546 W A -0.9274
547 V A -0.3158
548 L A 0.1354
549 L A 0.0000
550 S A 0.1679
551 T A 0.2757
552 F A 0.7682
553 L A 0.7376
554 G A -0.4174
555 S A -0.6168
556 A A -0.6615
557 G A -1.4344
558 H A -2.2429
559 H A -2.5169
560 H A -2.7759
561 H A -2.6672
562 H A -2.4047
563 H A -1.8980
1 M B 0.4309
2 D B -0.5283
3 W B 0.9194
4 T B 1.3638
5 W B 2.7776
6 I B 3.8875
7 L B 4.0011
8 F B 4.3328
9 L B 3.8958
10 V B 3.1925
11 A B 1.5665
12 A B 0.2616
13 A B -0.0175
14 T B -0.5635
15 R B -1.2859
16 V B 0.1230
17 H B -1.3519
18 S B -1.3752
19 E B -1.7480
20 N B -0.5238
21 I B 2.4112
22 V B 3.5913
23 L B 4.1330
24 L B 4.2758
25 L B 4.0108
26 A B 3.0647
27 I B 3.8231
28 V B 3.6768
29 S B 2.4486
30 L B 2.6579
31 V B 1.6306
32 K B -0.7419
33 S B -0.8054
34 D B 0.0000
35 Q B -0.7856
36 I B 0.0000
37 C B -0.1577
38 I B 0.0000
39 G B 0.0000
40 Y B 0.0000
41 H B 0.0000
42 A B 0.0000
43 N B -1.2127
44 N B -1.8679
45 S B -1.4308
46 T B -1.4900
47 E B -2.3930
48 Q B -2.2245
49 V B 0.0000
50 D B -1.7760
51 T B 0.0000
52 I B 0.0000
53 M B 0.0000
54 E B -1.7209
55 K B -2.7309
56 N B -2.6953
57 V B 0.0000
58 T B -1.6282
59 V B 0.0000
60 T B 0.0000
61 H B -1.0726
62 A B -1.1918
63 Q B -1.2897
64 D B -1.1899
65 I B 0.0000
66 L B 0.0000
67 E B -1.2884
68 K B -1.6092
69 T B -1.3096
70 H B -1.6693
71 N B -1.7578
72 G B -1.2902
73 K B -1.9143
74 L B 0.0000
75 C B 0.0000
76 D B 0.0000
77 L B -1.7334
78 N B -2.3791
79 G B -1.6476
80 V B -1.1958
81 K B -2.1171
82 P B -0.8013
83 L B 0.0000
84 I B 0.0000
85 L B 0.0000
86 K B -2.3069
87 D B -2.4290
88 C B 0.0000
89 S B 0.0000
90 V B 0.0000
91 A B 0.0000
92 G B 0.0000
93 W B 0.0000
94 L B 0.0000
95 L B 0.0000
96 G B 0.0000
97 N B 0.0000
98 P B 0.0000
99 M B -0.2977
100 C B 0.0000
101 D B -1.3882
102 E B -2.2587
103 F B 0.0000
104 I B -1.1202
105 R B -2.2708
106 V B -1.3757
107 P B -1.2832
108 E B -1.3950
109 W B 0.0000
110 S B -1.0723
111 Y B 0.0000
112 I B 0.0000
113 V B 0.0000
114 E B 0.0000
115 R B -1.5401
116 A B -1.1792
117 N B -1.8502
118 P B -1.7789
119 A B -1.1687
120 N B -1.1291
121 D B -1.1556
122 L B -0.4963
123 C B 0.0000
124 Y B 0.0000
125 P B 0.0000
126 G B -0.3841
127 S B -0.5961
128 L B 0.0000
129 N B -0.9246
130 D B -1.0090
131 Y B -0.6212
132 E B -0.8238
133 E B 0.0000
134 L B 0.0000
135 K B 0.0000
136 H B -0.6871
137 M B -0.3849
138 L B 0.0000
139 S B 0.0000
140 R B -2.1157
141 I B 0.0000
142 N B 0.0000
143 H B -1.5016
144 F B 0.0000
145 E B -1.7530
146 K B -0.9851
147 I B -0.3788
148 Q B -0.6397
149 I B 0.0000
150 I B 0.0000
151 P B -0.8483
152 K B -1.4750
153 S B -1.0017
154 S B -0.7606
155 W B 0.0000
156 P B -1.3351
157 N B -2.0158
158 H B 0.0000
159 E B -1.2822
160 T B -0.5448
161 S B 0.3156
162 L B 1.3623
163 G B 0.0000
164 V B 1.1140
165 S B 0.0000
166 A B -0.2063
167 A B -0.3488
168 C B 0.0000
169 P B -0.1726
170 Y B -0.2662
171 Q B -1.1578
172 G B -0.9417
173 A B -0.4360
174 P B -0.0078
175 S B 0.1639
176 F B 0.0000
177 F B 0.0000
178 R B -0.5466
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505 N C -2.8145
506 E C -2.7264
507 C C -2.2211
508 M C 0.0000
509 E C -2.4398
510 S C -2.0876
511 V C 0.0000
512 R C -1.7182
513 N C -2.0397
514 G C -1.6264
515 T C -1.3025
516 Y C 0.0000
517 D C -2.1330
518 G C -1.7714
519 S C -1.3542
520 E C -1.4182
521 N C -0.7117
522 L C 0.2537
523 W C 0.5628
524 F C 0.4722
525 Q C -0.7681
526 G C -0.7119
527 G C -0.5101
528 Y C -0.2394
529 I C 0.0000
530 P C -0.6325
531 E C -1.2505
532 A C 0.0000
533 P C -1.7730
534 R C -3.2692
535 D C -2.8886
536 G C -2.1004
537 Q C -1.7244
538 A C 0.0000
539 Y C -0.5210
540 V C 0.0000
541 R C 0.0000
542 K C -1.9496
543 D C -2.5574
544 G C -1.6771
545 E C -1.9709
546 W C -0.8304
547 V C -0.1543
548 L C 0.3702
549 L C 0.0000
550 S C 0.2465
551 T C 0.4063
552 F C 0.9422
553 L C 0.8071
554 G C -0.3711
555 S C -0.5843
556 A C -0.6885
557 G C -1.4656
558 H C -2.2087
559 H C -2.4908
560 H C -2.7457
561 H C -2.6368
562 H C -2.3884
563 H C -1.8815
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Laboratory of Theory of Biopolymers 2018