Project name: T465C

Status: done

Started: 2026-05-14 00:53:25
Settings
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTCCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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                                          (00:18:51)
[INFO]       Main:     Simulation completed successfully.                                          (00:20:44)
Show buried residues

Minimal score value
-5.083
Maximal score value
6.0264
Average score
-0.7544
Total score value
-1750.9657

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 0.7061
2 G A -0.2096
3 P A -0.7130
4 G A -1.0418
5 A A -1.5807
6 R A -2.9565
7 G A -3.0456
8 R A -4.2979
9 R A -4.7985
10 R A -5.0830
11 R A -4.9888
12 R A -4.3523
13 R A -3.3885
14 P A -1.4747
15 M A -0.1144
16 S A -0.2728
17 P A -0.3558
18 P A -0.5036
19 P A -0.7099
20 P A -0.7180
21 P A -0.3667
22 P A -0.3623
23 P A -0.1586
24 V A 0.8807
25 R A -0.5997
26 A A 0.6030
27 L A 1.8217
28 P A 1.7929
29 L A 3.4194
30 L A 4.0334
31 L A 4.0947
32 L A 3.8452
33 L A 2.9411
34 A A 1.2329
35 G A 0.0897
36 P A -0.4523
37 G A -0.6601
38 A A -0.3413
39 A A -0.9958
40 A A -1.1713
41 P A -0.6476
42 P A -0.7766
43 C A -0.5171
44 L A 0.4293
45 D A -1.2851
46 G A -0.9237
47 S A -1.0048
48 P A -0.9112
49 C A -1.0830
50 A A -1.1759
51 N A -1.5879
52 G A -1.2225
53 G A 0.0000
54 R A -1.5673
55 C A 0.0000
56 T A -0.7418
57 Q A -1.5119
58 L A -1.0300
59 P A -1.1725
60 S A -1.6946
61 R A -2.9156
62 E A -2.8311
63 A A 0.0000
64 A A -1.0327
65 C A -0.5749
66 L A 0.6922
67 C A -0.0251
68 P A -0.1998
69 P A -0.4452
70 G A -1.0197
71 W A -0.9781
72 V A -0.6937
73 G A -0.7586
74 E A -1.7092
75 R A -1.4655
76 C A 0.0000
77 Q A -1.4336
78 L A -1.3538
79 E A -2.3079
80 D A -1.5730
81 P A -1.3476
82 C A -0.9171
83 H A -1.5427
84 S A -1.1427
85 G A -0.8672
86 P A -0.4142
87 C A -0.7560
88 A A -0.5570
89 G A -0.8319
90 R A -1.6632
91 G A -1.0579
92 V A 0.4961
93 C A -0.1362
94 Q A -0.4717
95 S A -0.3799
96 S A 0.0019
97 V A 0.7444
98 V A 1.5531
99 A A 0.6158
100 G A -0.1849
101 T A -0.0936
102 A A 0.0000
103 R A -1.3326
104 F A -0.4948
105 S A -0.7486
106 C A -0.8569
107 R A -1.6904
108 C A -1.1010
109 P A -1.2505
110 R A -1.7875
111 G A -0.4307
112 F A -0.3117
113 R A -0.7008
114 G A -0.5948
115 P A -0.7845
116 D A -0.8648
117 C A 0.0000
118 S A -0.2975
119 L A 0.4397
120 P A -0.0882
121 D A -0.2480
122 P A 0.1076
123 C A 0.1772
124 L A 0.5301
125 S A 0.1551
126 S A -0.1654
127 P A -0.4093
128 C A -1.1636
129 A A -1.5163
130 H A -1.7860
131 G A -1.3167
132 A A -1.5711
133 R A -1.8441
134 C A -0.4274
135 S A -0.1676
136 V A 0.0644
137 G A -0.5830
138 P A -1.1665
139 D A -2.1355
140 G A -1.3140
141 R A -1.4798
142 F A -0.4653
143 L A -0.0865
144 C A -0.7477
145 S A -0.8760
146 C A -1.3318
147 P A -0.8275
148 P A -0.5769
149 G A -0.8763
150 Y A -1.8496
151 Q A -2.4384
152 G A -2.4726
153 R A -2.4302
154 S A 0.0000
155 C A 0.0000
156 R A -2.9664
157 S A -2.3259
158 D A -1.9668
159 V A -1.1200
160 D A -1.0328
161 E A -1.3433
162 C A -1.3746
163 R A -1.7337
164 V A 0.1176
165 G A -1.0935
166 E A -2.2643
167 P A -1.7027
168 C A 0.0000
169 R A -2.6678
170 H A -2.0043
171 G A -1.6329
172 G A 0.0000
173 T A -1.1814
174 C A -1.3382
175 L A -0.5189
176 N A -0.9929
177 T A 0.0000
178 P A -0.9390
179 G A -1.0922
180 S A -0.7613
181 F A -0.8550
182 R A -1.8048
183 C A -1.5494
184 Q A -1.4818
185 C A -1.2172
186 P A -0.5859
187 A A 0.1548
188 G A 0.0891
189 Y A -0.4066
190 T A -0.7101
191 G A -0.9723
192 P A -1.0913
193 L A -1.3024
194 C A 0.0000
195 E A -1.8113
196 N A -1.6288
197 P A -0.4277
198 A A 0.3226
199 V A 1.0149
200 P A -0.1191
201 C A -0.2712
202 A A 0.2520
203 P A 0.0076
204 S A -0.7148
205 P A -1.1583
206 C A -2.1090
207 R A -2.7498
208 N A -1.4848
209 G A -1.1076
210 G A -1.4277
211 T A -1.1288
212 C A -1.8692
213 R A -2.9758
214 Q A -2.4704
215 S A -1.8228
216 G A -1.3172
217 D A -1.2131
218 L A 0.5567
219 T A -0.6294
220 Y A -1.7225
221 D A -2.8650
222 C A 0.0000
223 A A -0.9443
224 C A -0.8144
225 L A 0.1954
226 P A -0.0511
227 G A -0.3604
228 F A -1.1050
229 E A -2.1981
230 G A -2.0812
231 Q A -2.4845
232 N A -2.4094
233 C A 0.0000
234 E A -2.5373
235 V A -1.0490
236 N A -0.8259
237 V A -0.9955
238 D A -1.6889
239 D A -1.6413
240 C A -1.5738
241 P A -1.3246
242 G A -1.3154
243 H A -1.6546
244 R A -2.1708
245 C A 0.0000
246 L A -0.1854
247 N A -0.9646
248 G A -0.6704
249 G A -0.8919
250 T A -0.6974
251 C A -0.8849
252 V A -0.4437
253 D A -1.0587
254 G A -0.3356
255 V A 0.6865
256 N A -0.8143
257 T A -0.7348
258 Y A -1.3039
259 N A -1.7976
260 C A -1.3696
261 Q A -1.3895
262 C A -1.1136
263 P A -0.6480
264 P A -0.7679
265 E A -1.1282
266 W A -1.1509
267 T A -1.4436
268 G A -1.3939
269 Q A -1.8660
270 F A -1.3885
271 C A 0.0000
272 T A -1.2487
273 E A -2.0757
274 D A -1.3959
275 V A -0.8969
276 D A -0.9083
277 E A -1.0345
278 C A -0.7474
279 Q A -1.0671
280 L A -0.0056
281 Q A -1.4517
282 P A -1.4773
283 N A -2.1307
284 A A -1.4527
285 C A 0.0000
286 H A -2.0026
287 N A -1.5273
288 G A -1.1715
289 G A -0.5446
290 T A 0.2135
291 C A 0.1734
292 F A 1.3788
293 N A 0.0428
294 T A 0.4255
295 L A 0.7341
296 G A -0.4103
297 G A -0.1810
298 H A -0.3041
299 S A -0.1601
300 C A 0.0380
301 V A 0.3995
302 C A -0.5081
303 V A 0.1856
304 N A -0.1267
305 G A 0.0000
306 W A -0.4238
307 T A -1.1552
308 G A -1.4632
309 E A -2.2081
310 S A -1.6800
311 C A 0.0000
312 S A -1.5807
313 Q A -1.8852
314 N A -1.1414
315 I A -0.5681
316 D A -1.6701
317 D A -0.8733
318 C A -0.4502
319 A A -0.1931
320 T A 0.2232
321 A A 0.8657
322 V A 2.0514
323 C A 1.7434
324 F A 1.1817
325 H A -0.7125
326 G A -0.4400
327 A A 0.2767
328 T A 0.1933
329 C A 0.1998
330 H A -1.0050
331 D A -1.6293
332 R A -1.5104
333 V A 0.2617
334 A A -0.1124
335 S A -0.4135
336 F A 0.2119
337 Y A 0.8899
338 C A 0.0000
339 A A 0.6129
340 C A 0.6030
341 P A 0.1937
342 M A 0.8503
343 G A -0.0529
344 K A -0.8448
345 T A -0.7558
346 G A 0.2997
347 L A 2.0835
348 L A 1.9526
349 C A 0.0000
350 H A -0.0888
351 L A -1.1191
352 D A -2.2809
353 D A -1.6233
354 A A -1.3199
355 C A -0.4469
356 V A 0.6059
357 S A -0.1179
358 N A -1.0206
359 P A -1.0695
360 C A -1.3157
361 H A -2.1690
362 E A -2.8662
363 D A -2.2085
364 A A -0.8695
365 I A 0.9614
366 C A -0.1982
367 D A -1.1287
368 T A 0.0000
369 N A -1.1303
370 P A -0.5612
371 V A -0.1261
372 N A -1.6499
373 G A -1.9962
374 R A -2.5492
375 A A -1.1590
376 I A -0.0505
377 C A -0.2434
378 T A 0.3118
379 C A -0.2902
380 P A -0.3274
381 P A -0.5516
382 G A -0.7559
383 F A -1.4793
384 T A -1.2310
385 G A -1.4047
386 G A -0.9590
387 A A -1.2999
388 C A 0.0000
389 D A -2.9463
390 Q A -2.6237
391 D A -2.0521
392 V A -0.9507
393 D A -0.8403
394 E A -0.1576
395 C A -0.1291
396 S A 0.1608
397 I A 1.2562
398 G A 0.1368
399 A A -0.4766
400 N A -1.5074
401 P A -1.1597
402 C A 0.0000
403 E A -2.6197
404 H A -1.7385
405 L A -0.1449
406 G A 0.0000
407 R A -2.1518
408 C A 0.0000
409 V A 0.1702
410 N A -0.3896
411 T A -0.4354
412 Q A -1.7043
413 G A -1.4565
414 S A -0.2887
415 F A 0.3758
416 L A 0.6664
417 C A -0.9728
418 Q A -1.5163
419 C A -1.6788
420 G A -1.3190
421 R A -1.9045
422 G A 0.0000
423 Y A -1.1638
424 T A -1.4611
425 G A -1.3665
426 P A -1.1214
427 R A -2.4208
428 C A 0.0000
429 E A -2.4772
430 T A -1.6312
431 D A -1.6557
432 V A -0.6665
433 N A -0.7490
434 E A -0.7028
435 C A -0.2403
436 L A 0.9876
437 S A 0.1906
438 G A -0.5745
439 P A -0.5131
440 C A -0.8876
441 R A -2.5373
442 N A -1.9645
443 Q A -1.7806
444 A A -0.5571
445 T A 0.0709
446 C A -0.0059
447 L A -0.3980
448 D A -1.9359
449 R A -2.0160
450 I A -0.1786
451 G A 0.0000
452 Q A -1.6851
453 F A -0.8804
454 T A -0.1774
455 C A 0.5349
456 I A 1.9917
457 C A 0.7236
458 M A 0.1880
459 A A 0.2403
460 G A -0.6931
461 F A -0.4120
462 T A -0.1970
463 G A -0.2543
464 T A -0.0042
465 C A -0.3338
466 C A 0.0000
467 E A -1.4604
468 V A -0.4947
469 D A -1.8909
470 I A -1.5216
471 D A -2.8151
472 E A -2.8080
473 C A -2.0540
474 Q A -2.1186
475 S A -1.2580
476 S A -0.4663
477 P A -0.1625
478 C A 0.2738
479 V A 0.5291
480 N A -0.7389
481 G A -0.2559
482 G A 0.3615
483 V A 1.2238
484 C A -0.5178
485 K A -2.2530
486 D A -3.5336
487 R A -2.8537
488 V A -0.6052
489 N A -1.4938
490 G A -1.4514
491 F A -1.5577
492 S A -0.8164
493 C A 0.1828
494 T A 0.3637
495 C A 0.3718
496 P A -0.2828
497 S A -0.8885
498 G A 0.0000
499 F A -0.9389
500 S A -0.5554
501 G A -0.5022
502 S A -0.2310
503 T A 0.0495
504 C A 0.0000
505 Q A -0.9771
506 L A -0.2991
507 D A -2.3899
508 V A -1.6219
509 D A -2.4953
510 E A -2.1754
511 C A -1.4256
512 A A -0.7820
513 S A -0.5501
514 T A -0.8337
515 P A -0.7692
516 C A 0.0000
517 R A -3.2984
518 N A -3.0937
519 G A -2.4339
520 A A -2.9167
521 K A -3.0057
522 C A -2.2389
523 V A -1.9138
524 D A -3.2157
525 Q A -3.0476
526 P A -2.5504
527 D A -2.8335
528 G A -2.1066
529 Y A -1.9941
530 E A -2.4637
531 C A -2.3401
532 R A -2.8606
533 C A -2.8750
534 A A -1.9814
535 E A -1.7817
536 G A -1.1765
537 F A -2.4928
538 E A -2.9113
539 G A -2.0038
540 T A -1.4028
541 L A -1.7798
542 C A 0.0000
543 D A -3.7186
544 R A -3.8368
545 N A -2.7809
546 V A -1.8992
547 D A -2.5680
548 D A -1.6942
549 C A -1.9422
550 S A -1.6998
551 P A -1.5560
552 D A -2.7921
553 P A -1.9229
554 C A 0.0000
555 H A -2.5648
556 H A -2.0037
557 G A -1.8872
558 R A -2.3781
559 C A -1.5420
560 V A -0.7423
561 D A -1.8224
562 G A -0.1752
563 I A 0.8916
564 A A -0.2308
565 S A -0.0989
566 F A -0.3128
567 S A -0.4939
568 C A -1.1065
569 A A -0.5050
570 C A -0.9392
571 A A -0.5819
572 P A -0.4238
573 G A -0.8422
574 Y A -1.1008
575 T A -1.0535
576 G A -1.2197
577 T A -1.0703
578 R A -2.4509
579 C A 0.0000
580 E A -2.8096
581 S A -1.9255
582 Q A -1.6251
583 V A -1.5567
584 D A -2.5489
585 E A -2.2977
586 C A -2.2767
587 R A -2.9526
588 S A -1.9328
589 Q A -2.6676
590 P A -1.3982
591 C A -1.7129
592 R A -2.7991
593 H A -1.7111
594 G A -1.9541
595 G A -2.1857
596 K A -2.7468
597 C A -1.6874
598 L A -0.7869
599 D A -1.7602
600 L A -0.2539
601 V A -0.0066
602 D A -2.0999
603 K A -1.8262
604 Y A -0.2971
605 L A 0.6357
606 C A -0.7793
607 R A -2.0057
608 C A -1.1952
609 P A -1.2925
610 S A -0.5388
611 G A -0.7913
612 T A 0.0000
613 T A 0.0089
614 G A 0.2247
615 V A 1.4286
616 N A -0.4257
617 C A 0.0000
618 E A -0.6583
619 V A 0.4537
620 N A -0.8373
621 I A -0.3512
622 D A -2.3399
623 D A -2.9806
624 C A 0.0000
625 A A -1.1327
626 S A -1.2343
627 N A -1.3115
628 P A -0.5027
629 C A -0.1480
630 T A 0.3130
631 F A 0.8504
632 G A 0.4592
633 V A 1.0542
634 C A -0.7505
635 R A -2.7399
636 D A -2.7418
637 G A -2.1369
638 I A -0.7376
639 N A -2.1424
640 R A -3.0487
641 Y A -2.7799
642 D A -2.3635
643 C A 0.0000
644 V A 0.3601
645 C A 0.2140
646 Q A -1.1912
647 P A -1.5058
648 G A -1.7791
649 F A -0.7631
650 T A 0.0149
651 G A 0.2025
652 P A -0.1828
653 L A 0.4038
654 C A 0.0000
655 N A -0.4856
656 V A 0.4648
657 E A -1.5393
658 I A -0.9656
659 N A -1.8175
660 E A -1.6992
661 C A -0.8879
662 A A -0.6069
663 S A -0.5083
664 S A -0.4438
665 P A -0.2998
666 C A -0.1119
667 G A -0.5773
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1998 R A -1.4740
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2253 E A -2.4151
2254 H A -1.3129
2255 W A 0.1668
2256 A A -0.0226
2257 S A -0.1875
2258 P A -0.3990
2259 S A -0.5692
2260 P A -0.6239
2261 P A -0.2858
2262 S A 0.1335
2263 L A 0.9851
2264 S A -0.1350
2265 D A -1.1860
2266 W A -0.1230
2267 S A -1.0316
2268 E A -1.9472
2269 S A -1.2626
2270 T A -0.7443
2271 P A -0.4979
2272 S A -0.4665
2273 P A -0.4069
2274 A A -0.1385
2275 T A -0.0809
2276 A A -0.0958
2277 T A -0.2766
2278 G A -0.2489
2279 A A 0.3439
2280 M A 1.0018
2281 A A 0.5596
2282 T A 0.1502
2283 T A -0.2329
2284 T A -0.3537
2285 G A -0.1495
2286 A A 0.6241
2287 L A 1.3584
2288 P A 0.3165
2289 A A -0.4960
2290 Q A -1.0272
2291 P A -0.1057
2292 L A 1.3619
2293 P A 1.2384
2294 L A 1.9849
2295 S A 1.3759
2296 V A 1.8065
2297 P A 0.4012
2298 S A 0.2411
2299 S A 0.4978
2300 L A 1.1516
2301 A A 0.1126
2302 Q A -1.0597
2303 A A -1.1962
2304 Q A -1.7154
2305 T A -0.9752
2306 Q A -0.8076
2307 L A 0.6394
2308 G A -0.3553
2309 P A -0.8290
2310 Q A -1.9719
2311 P A -1.4236
2312 E A -1.3276
2313 V A 0.7065
2314 T A -0.0562
2315 P A -1.2694
2316 K A -2.8319
2317 R A -2.8729
2318 Q A -1.2131
2319 V A 1.2544
2320 L A 2.1598
2321 A A 1.2071
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Laboratory of Theory of Biopolymers 2018