Project name: D1836N

Status: done

Started: 2026-05-14 06:18:29
Settings
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTNRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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                                        (00:00:04)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:39:55)
[INFO]       Main:     Simulation completed successfully.                                          (00:42:56)
Show buried residues

Minimal score value
-4.9421
Maximal score value
6.1191
Average score
-0.757
Total score value
-1756.9974

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 0.7651
2 G A -0.1627
3 P A -0.7375
4 G A -1.1830
5 A A -1.5274
6 R A -2.9652
7 G A -2.9354
8 R A -3.9345
9 R A -4.7672
10 R A -4.9421
11 R A -4.6146
12 R A -4.2120
13 R A -3.3453
14 P A -1.4535
15 M A 0.0076
16 S A -0.2137
17 P A -0.3181
18 P A -0.4917
19 P A -0.6977
20 P A -0.7050
21 P A -0.3931
22 P A -0.4175
23 P A -0.1417
24 V A 0.8871
25 R A -0.6284
26 A A 0.5345
27 L A 1.7849
28 P A 1.7070
29 L A 3.2576
30 L A 3.9248
31 L A 3.9695
32 L A 3.7199
33 L A 2.8505
34 A A 1.1511
35 G A 0.0244
36 P A -0.4589
37 G A -0.6609
38 A A -0.3154
39 A A -0.9000
40 A A -1.0653
41 P A -0.6620
42 P A -0.8066
43 C A -0.5622
44 L A 0.4177
45 D A -1.2806
46 G A -0.9031
47 S A -1.1282
48 P A -1.1180
49 C A -1.6418
50 A A -1.6054
51 N A -1.7781
52 G A -1.3539
53 G A 0.0000
54 R A -1.7468
55 C A 0.0000
56 T A -0.6930
57 Q A -1.7505
58 L A -1.0738
59 P A -1.1943
60 S A -1.7106
61 R A -2.9515
62 E A -2.8694
63 A A -1.6581
64 A A -1.3048
65 C A -0.9691
66 L A 0.4879
67 C A -0.2902
68 P A -0.1854
69 P A -0.4266
70 G A -0.9807
71 W A -0.9174
72 V A -0.9715
73 G A -1.3347
74 E A -2.4538
75 R A -2.9063
76 C A 0.0000
77 Q A -2.0762
78 L A -1.6581
79 E A -2.3136
80 D A -1.5834
81 P A -1.3273
82 C A -0.9487
83 H A -1.5947
84 S A -1.1395
85 G A -0.8368
86 P A -0.3245
87 C A -0.7775
88 A A -0.5960
89 G A -1.0237
90 R A -1.8476
91 G A -1.1101
92 V A 0.3430
93 C A -0.3196
94 Q A -0.9758
95 S A -0.5693
96 S A -0.2117
97 V A 0.4504
98 V A 0.9816
99 A A 0.3258
100 G A -0.3921
101 T A -0.3975
102 A A -0.6737
103 R A -1.4404
104 F A -0.6509
105 S A -0.7841
106 C A -0.9208
107 R A -1.7445
108 C A -1.1637
109 P A -1.2743
110 R A -1.8797
111 G A 0.0000
112 F A -0.2988
113 R A -0.7029
114 G A -0.6414
115 P A -0.7774
116 D A -0.8390
117 C A 0.0000
118 S A -0.3686
119 L A 0.3074
120 P A 0.0612
121 D A -0.1795
122 P A 0.1077
123 C A 0.0000
124 L A 0.7885
125 S A 0.2974
126 S A -0.1160
127 P A -0.3030
128 C A -1.0921
129 A A -1.6551
130 H A -1.7641
131 G A -1.3152
132 A A -1.5192
133 R A -1.7767
134 C A -0.2970
135 S A -0.0386
136 V A 0.0155
137 G A -0.6019
138 P A -1.2174
139 D A -2.2666
140 G A -1.5742
141 R A -1.8897
142 F A -0.3604
143 L A 0.4893
144 C A -0.5423
145 S A -0.8252
146 C A -1.2620
147 P A -0.8412
148 P A -0.5966
149 G A -0.9276
150 Y A -1.7968
151 Q A -2.3503
152 G A -2.4500
153 R A -2.2827
154 S A -1.8235
155 C A 0.0000
156 R A -2.9148
157 S A -2.2078
158 D A -1.9061
159 V A -1.1163
160 D A -1.0264
161 E A -1.5955
162 C A -1.4673
163 R A -1.7204
164 V A 0.0646
165 G A -1.1108
166 E A -2.3993
167 P A -1.7152
168 C A 0.0000
169 R A -2.8965
170 H A -2.2160
171 G A -1.7086
172 G A -1.7416
173 T A -1.2060
174 C A -1.3513
175 L A -0.4981
176 N A -1.1913
177 T A -0.8087
178 P A -0.9888
179 G A -1.1374
180 S A -0.8784
181 F A -0.9838
182 R A -1.8425
183 C A -1.5676
184 Q A -1.3270
185 C A -1.3524
186 P A -0.6907
187 A A 0.0749
188 G A 0.1093
189 Y A -0.6031
190 T A -0.7538
191 G A -1.0645
192 P A -1.1532
193 L A -1.4690
194 C A 0.0000
195 E A -2.1163
196 N A -1.7224
197 P A -0.5475
198 A A 0.4526
199 V A 1.3813
200 P A 0.0517
201 C A -0.2810
202 A A 0.3139
203 P A 0.0027
204 S A -0.7505
205 P A -1.1204
206 C A -2.1976
207 R A -2.9553
208 N A -2.0030
209 G A -1.2515
210 G A -1.6045
211 T A -1.2309
212 C A -1.8728
213 R A -2.9376
214 Q A -2.3889
215 S A -1.7742
216 G A -1.4153
217 D A -1.1343
218 L A 0.6178
219 T A -0.5285
220 Y A -1.5783
221 D A -2.8129
222 C A 0.0000
223 A A -0.9399
224 C A -0.8875
225 L A 0.0656
226 P A -0.0254
227 G A -0.4145
228 F A -1.0565
229 E A -2.0750
230 G A -1.8607
231 Q A -2.3894
232 N A -2.4179
233 C A 0.0000
234 E A -2.2418
235 V A -0.8795
236 N A -0.7177
237 V A -0.7838
238 D A -1.7418
239 D A -1.9615
240 C A -1.7043
241 P A -1.4077
242 G A -1.3643
243 H A -1.6544
244 R A -1.9837
245 C A -0.9551
246 L A 0.1320
247 N A -0.6459
248 G A -0.5867
249 G A -0.8006
250 T A -0.6755
251 C A -0.9004
252 V A -0.5129
253 D A -1.0819
254 G A -0.3384
255 V A 0.6440
256 N A -0.8341
257 T A -0.8074
258 Y A -1.4136
259 N A -1.8968
260 C A -1.3428
261 Q A -1.4183
262 C A -1.1153
263 P A -0.6717
264 P A -0.8284
265 E A -1.2848
266 W A -1.1978
267 T A -1.3948
268 G A -1.6280
269 Q A -1.9041
270 F A -1.3287
271 C A 0.0000
272 T A -1.2287
273 E A -2.1118
274 D A -1.4459
275 V A 0.0000
276 D A -0.9494
277 E A -0.8236
278 C A -0.6776
279 Q A -1.0190
280 L A 0.0969
281 Q A -1.1884
282 P A -1.4164
283 N A -1.9760
284 A A -1.3154
285 C A 0.0000
286 H A -1.8210
287 N A -1.9499
288 G A -1.4595
289 G A -0.2823
290 T A 0.5760
291 C A 0.5241
292 F A 1.6306
293 N A -0.0235
294 T A 0.4084
295 L A 0.6983
296 G A -0.4442
297 G A -0.2115
298 H A -0.3128
299 S A 0.1677
300 C A 0.6319
301 V A 1.8631
302 C A 0.3132
303 V A -0.2011
304 N A -0.8057
305 G A 0.0000
306 W A 0.0000
307 T A -0.8580
308 G A -1.3157
309 E A -2.0479
310 S A -1.4644
311 C A 0.0000
312 S A -1.4989
313 Q A -1.8808
314 N A -1.4184
315 I A -0.8048
316 D A -2.0864
317 D A -1.2144
318 C A -0.4060
319 A A -0.2106
320 T A 0.0327
321 A A 0.8246
322 V A 1.9382
323 C A 1.1931
324 F A 0.3449
325 H A -1.1075
326 G A -0.6503
327 A A 0.0791
328 T A 0.2008
329 C A 0.2252
330 H A -0.8118
331 D A -1.5067
332 R A -2.2583
333 V A -1.6462
334 A A -1.4356
335 S A 0.0000
336 F A -0.2585
337 Y A 1.0380
338 C A 0.0000
339 A A 0.4751
340 C A 0.2989
341 P A 0.1494
342 M A 0.8531
343 G A -0.0980
344 K A -1.0964
345 T A -0.9588
346 G A -0.5452
347 L A 0.5073
348 L A 0.9382
349 C A 0.0000
350 H A -1.0837
351 L A -1.7677
352 D A -2.5057
353 D A -1.4821
354 A A -1.4118
355 C A -0.4448
356 V A 0.6788
357 S A -0.0958
358 N A -0.9786
359 P A -1.0666
360 C A -1.3156
361 H A -2.1325
362 E A -2.8514
363 D A -2.2069
364 A A -0.8801
365 I A 0.9389
366 C A -0.0688
367 D A -1.2030
368 T A 0.0000
369 N A -1.6365
370 P A -1.3113
371 V A -0.9264
372 N A -1.9992
373 G A -2.3738
374 R A -2.6681
375 A A -1.2259
376 I A -0.2285
377 C A -0.3074
378 T A 0.2960
379 C A -0.3397
380 P A -0.3524
381 P A -0.4261
382 G A -0.7128
383 F A -1.4408
384 T A -1.0867
385 G A -1.3693
386 G A -0.9985
387 A A -1.3127
388 C A 0.0000
389 D A -2.9003
390 Q A -2.5746
391 D A -1.9751
392 V A -0.9163
393 D A -1.0944
394 E A -0.2589
395 C A -0.1206
396 S A 0.0868
397 I A 1.1253
398 G A -0.4534
399 A A -0.4864
400 N A -1.5325
401 P A -1.0565
402 C A 0.0000
403 E A -2.5152
404 H A -1.3902
405 L A -0.0140
406 G A 0.0000
407 R A -2.1448
408 C A 0.0000
409 V A 0.1391
410 N A -0.3851
411 T A -0.3871
412 Q A -1.6599
413 G A -1.4231
414 S A -0.1475
415 F A 0.5105
416 L A 0.8355
417 C A -0.8458
418 Q A -1.5286
419 C A -1.6625
420 G A -1.2797
421 R A -1.9696
422 G A -1.3388
423 Y A -1.2838
424 T A -1.5937
425 G A -1.5058
426 P A -1.2322
427 R A -2.6223
428 C A 0.0000
429 E A -2.6319
430 T A -1.7646
431 D A -1.7983
432 V A -1.0246
433 N A -1.0209
434 E A -1.0841
435 C A -0.2205
436 L A 0.8850
437 S A 0.0472
438 G A -0.4977
439 P A -0.3848
440 C A -0.7219
441 R A -2.1208
442 N A -1.8661
443 Q A -1.6694
444 A A -0.3431
445 T A 0.3647
446 C A 0.3919
447 L A 0.1618
448 D A -1.0603
449 R A -1.7534
450 I A -0.3951
451 G A 0.0000
452 Q A -1.6714
453 F A -0.5069
454 T A 0.2693
455 C A 1.1128
456 I A 2.1934
457 C A 0.9985
458 M A 0.2844
459 A A 0.3091
460 G A -0.7382
461 F A -0.2447
462 T A 0.1839
463 G A 0.0413
464 T A 0.3251
465 Y A 0.3340
466 C A 0.0000
467 E A -0.9697
468 V A -0.2800
469 D A -1.8748
470 I A -1.5685
471 D A -3.3664
472 E A -3.1566
473 C A -2.2623
474 Q A -2.2943
475 S A -1.3810
476 S A -0.6453
477 P A -0.0425
478 C A 0.3571
479 V A 0.6277
480 N A -0.6961
481 G A -0.2580
482 G A 0.3985
483 V A 1.2841
484 C A -0.3017
485 K A -2.1907
486 D A -3.6185
487 R A -2.9093
488 V A -0.6969
489 N A -1.5648
490 G A -1.5222
491 F A -1.6313
492 S A -0.8185
493 C A 0.2416
494 T A 0.4020
495 C A 0.3742
496 P A -0.3095
497 S A -0.9054
498 G A -1.7823
499 F A -0.9422
500 S A -0.5610
501 G A -0.4717
502 S A -0.1994
503 T A 0.0971
504 C A 0.0000
505 Q A -0.9211
506 L A -0.2257
507 D A -2.4485
508 V A -1.9049
509 D A -2.9832
510 E A -2.8802
511 C A -1.8222
512 A A -1.0066
513 S A -0.7059
514 T A -0.9972
515 P A -0.8500
516 C A 0.0000
517 R A -3.1208
518 N A -2.5477
519 G A -2.1356
520 A A -2.7283
521 K A -2.9126
522 C A -2.2118
523 V A -2.1561
524 D A -3.5916
525 Q A -3.2601
526 P A -2.6019
527 D A -3.0079
528 G A -2.3794
529 Y A -2.3401
530 E A -2.6960
531 C A -2.4055
532 R A -3.0615
533 C A -2.7186
534 A A -1.9686
535 E A -1.7688
536 G A 0.0000
537 F A -2.1143
538 E A -2.7516
539 G A -1.9233
540 T A -1.3830
541 L A -1.6733
542 C A 0.0000
543 D A -3.4280
544 R A -3.3089
545 N A -2.2394
546 V A -1.6264
547 D A -2.5505
548 D A -1.9068
549 C A -2.0843
550 S A -1.7703
551 P A -1.5872
552 D A -2.8109
553 P A -1.7336
554 C A -2.1017
555 H A -2.5306
556 H A -2.0627
557 G A -1.8901
558 R A -2.3734
559 C A -1.6080
560 V A -0.8315
561 D A -1.8855
562 G A -0.1537
563 I A 0.8431
564 A A -0.0940
565 S A -0.1512
566 F A -0.5035
567 S A -0.5785
568 C A -1.1281
569 A A -0.5379
570 C A -1.0182
571 A A -0.8990
572 P A -0.7487
573 G A -1.0992
574 Y A -1.1928
575 T A -1.1008
576 G A -1.3231
577 T A -1.0253
578 R A -2.3330
579 C A 0.0000
580 E A -2.7578
581 S A -1.8890
582 Q A -1.6789
583 V A -1.7270
584 D A -2.5041
585 E A -2.7723
586 C A -2.5254
587 R A -3.0426
588 S A -2.0001
589 Q A -2.5593
590 P A -1.5255
591 C A -1.8105
592 R A -2.8238
593 H A -1.9690
594 G A -2.2137
595 G A -2.2868
596 K A -2.8082
597 C A 0.0000
598 L A -1.0167
599 D A -2.0126
600 L A -0.5161
601 V A -0.1660
602 D A -2.2865
603 K A -2.0972
604 Y A -0.6325
605 L A 0.4206
606 C A -0.8563
607 R A -2.0201
608 C A -1.2367
609 P A -1.2069
610 S A -0.4882
611 G A -0.8115
612 T A 0.0000
613 T A 0.1979
614 G A 0.4130
615 V A 1.4638
616 N A -0.4380
617 C A 0.0000
618 E A -0.6336
619 V A 0.5159
620 N A -0.6314
621 I A -0.4946
622 D A -2.3281
623 D A -2.8779
624 C A -2.0463
625 A A -1.1023
626 S A -1.1906
627 N A -1.2447
628 P A -0.4406
629 C A -0.0373
630 T A 0.4108
631 F A 0.9889
632 G A 0.5621
633 V A 1.1750
634 C A -0.6732
635 R A -2.7308
636 D A -2.7129
637 G A -2.0080
638 I A -0.5583
639 N A -2.0864
640 R A -3.0277
641 Y A -2.7904
642 D A -2.3487
643 C A 0.0000
644 V A 0.5210
645 C A 0.4180
646 Q A -0.7846
647 P A -1.3239
648 G A -2.0087
649 F A -0.7547
650 T A 0.1910
651 G A 0.2441
652 P A -0.1463
653 L A 0.6222
654 C A 0.0000
655 N A -0.3694
656 V A 0.6059
657 E A -1.7312
658 I A -1.3029
659 N A -2.1895
660 E A -2.2719
661 C A -1.1354
662 A A -0.7814
663 S A -0.6240
664 S A -0.5797
665 P A -0.5323
666 C A -0.2698
667 G A -0.7907
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1998 R A -1.5662
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2252 P A -1.9331
2253 E A -2.2740
2254 H A -1.4719
2255 W A 0.2537
2256 A A 0.2879
2257 S A -0.1535
2258 P A -0.5244
2259 S A -0.5993
2260 P A -0.6160
2261 P A -0.2446
2262 S A 0.1285
2263 L A 0.9643
2264 S A -0.0636
2265 D A -1.1850
2266 W A -0.1517
2267 S A -1.0924
2268 E A -1.9598
2269 S A -1.2834
2270 T A -0.8461
2271 P A -0.5098
2272 S A -0.4954
2273 P A -0.4112
2274 A A -0.1759
2275 T A -0.1730
2276 A A -0.1359
2277 T A -0.2789
2278 G A -0.2315
2279 A A 0.3575
2280 M A 0.9958
2281 A A 0.5889
2282 T A 0.1393
2283 T A -0.2356
2284 T A -0.2155
2285 G A -0.1387
2286 A A 0.5445
2287 L A 1.2244
2288 P A 0.2692
2289 A A -0.2265
2290 Q A -0.8307
2291 P A 0.0429
2292 L A 1.3902
2293 P A 1.0253
2294 L A 2.0675
2295 S A 1.6238
2296 V A 1.8240
2297 P A 0.5977
2298 S A 0.3089
2299 S A 0.5665
2300 L A 1.1686
2301 A A 0.3210
2302 Q A -1.0688
2303 A A -1.1990
2304 Q A -1.5927
2305 T A -0.9455
2306 Q A -0.8475
2307 L A 0.4831
2308 G A -0.2418
2309 P A -0.8079
2310 Q A -1.9480
2311 P A -1.5014
2312 E A -1.2937
2313 V A 0.5038
2314 T A -0.1466
2315 P A -1.2327
2316 K A -2.8341
2317 R A -2.8231
2318 Q A -1.3085
2319 V A 1.5158
2320 L A 1.9797
2321 A A 1.1702
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Laboratory of Theory of Biopolymers 2018