Project name: D1836N_5

Status: done

Started: 2026-05-14 06:18:47
Settings
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTNRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
input PDB
Selected Chain(s) A
Distance of aggregation 5 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                                          (00:39:14)
[INFO]       Main:     Simulation completed successfully.                                          (00:42:17)
Show buried residues

Minimal score value
-2.6759
Maximal score value
2.6835
Average score
-0.2783
Total score value
-645.8531

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 0.9606
2 G A -0.3041
3 P A -0.4668
4 G A -0.5231
5 A A -0.4020
6 R A -1.9185
7 G A -1.1471
8 R A -2.2715
9 R A -2.6561
10 R A -2.6759
11 R A -2.5460
12 R A -2.5296
13 R A -2.2358
14 P A -0.3979
15 M A 0.9659
16 S A -0.0624
17 P A -0.3409
18 P A -0.3487
19 P A -0.3484
20 P A -0.3484
21 P A -0.3486
22 P A -0.3484
23 P A 0.0284
24 V A 1.3828
25 R A -1.5038
26 A A 0.0015
27 L A 1.5117
28 P A 0.3166
29 L A 1.7893
30 L A 2.1267
31 L A 2.1267
32 L A 2.1284
33 L A 1.8504
34 A A 0.2602
35 G A -0.5018
36 P A -0.4261
37 G A -0.5027
38 A A -0.0173
39 A A 0.0736
40 A A -0.0121
41 P A -0.2609
42 P A -0.0714
43 C A 0.4432
44 L A 1.2575
45 D A -1.5962
46 G A -0.8150
47 S A -0.2204
48 P A -0.0589
49 C A -0.1660
50 A A -0.1208
51 N A -0.9508
52 G A -0.6243
53 G A 0.0000
54 R A -1.8441
55 C A 0.0000
56 T A -0.1969
57 Q A -0.8247
58 L A 0.5345
59 P A -0.1566
60 S A -0.5853
61 R A -2.2145
62 E A -2.1550
63 A A -0.4419
64 A A 0.0298
65 C A 0.3784
66 L A 1.6079
67 C A 0.5089
68 P A -0.0700
69 P A -0.2778
70 G A -0.0643
71 W A 0.1621
72 V A 0.2972
73 G A -0.3663
74 E A -2.1649
75 R A -2.1612
76 C A 0.0000
77 Q A -0.6158
78 L A -0.2201
79 E A -1.7744
80 D A -0.5680
81 P A -0.0782
82 C A -0.0856
83 H A -1.0099
84 S A -0.4757
85 G A -0.5169
86 P A -0.1391
87 C A -0.0151
88 A A -0.0038
89 G A -0.5738
90 R A -1.9006
91 G A -0.0489
92 V A 1.7807
93 C A 0.2883
94 Q A -0.8641
95 S A -0.1260
96 S A -0.0677
97 V A 0.9063
98 V A 1.2835
99 A A 0.1825
100 G A -0.4685
101 T A -0.1531
102 A A -0.2450
103 R A -1.6685
104 F A 0.5381
105 S A -0.0236
106 C A -0.2812
107 R A -1.7876
108 C A -0.1460
109 P A -0.3451
110 R A -1.8525
111 G A 0.0000
112 F A 0.7681
113 R A -0.3283
114 G A -0.2750
115 P A -0.4134
116 D A -0.7780
117 C A 0.0000
118 S A -0.0676
119 L A 0.6061
120 P A -0.0527
121 D A -0.1990
122 P A -0.1020
123 C A 0.0000
124 L A 1.2244
125 S A -0.0212
126 S A -0.2595
127 P A -0.0722
128 C A 0.0698
129 A A -0.1308
130 H A -0.9470
131 G A -0.6214
132 A A -0.3937
133 R A -1.8063
134 C A -0.1820
135 S A -0.0706
136 V A 0.5633
137 G A 0.0108
138 P A -0.5877
139 D A -1.8611
140 G A -0.7939
141 R A -1.8155
142 F A 0.3081
143 L A 1.6157
144 C A 0.3461
145 S A -0.1550
146 C A 0.1841
147 P A -0.0699
148 P A -0.2821
149 G A -0.0678
150 Y A -0.1543
151 Q A -1.2535
152 G A -1.0268
153 R A -1.9391
154 S A -0.3752
155 C A 0.0000
156 R A -1.8711
157 S A -0.6180
158 D A -0.6373
159 V A 0.2264
160 D A -0.4192
161 E A -0.9995
162 C A -0.3754
163 R A -1.4984
164 V A 1.3863
165 G A -0.2854
166 E A -1.8770
167 P A -0.3638
168 C A 0.0000
169 R A -1.8587
170 H A -1.2840
171 G A -0.6373
172 G A -0.1317
173 T A -0.0503
174 C A 0.2916
175 L A 0.7928
176 N A -0.4405
177 T A -0.1324
178 P A -0.2685
179 G A -0.1599
180 S A -0.1202
181 F A -0.0975
182 R A -1.7586
183 C A -0.4588
184 Q A -1.1476
185 C A -0.0676
186 P A -0.0605
187 A A 0.0132
188 G A -0.0585
189 Y A 0.3260
190 T A 0.0189
191 G A -0.2249
192 P A -0.2079
193 L A 0.3955
194 C A 0.0000
195 E A -1.1451
196 N A -1.3992
197 P A -0.4074
198 A A 0.3328
199 V A 1.7700
200 P A 0.3238
201 C A 0.1071
202 A A 0.0039
203 P A -0.2783
204 S A -0.2421
205 P A -0.0812
206 C A -0.3101
207 R A -1.9910
208 N A -1.2953
209 G A -0.6314
210 G A -0.1156
211 T A -0.0622
212 C A -0.2545
213 R A -2.0509
214 Q A -1.5117
215 S A -0.4022
216 G A -0.5234
217 D A -1.5782
218 L A 0.9895
219 T A 0.2482
220 Y A -0.0607
221 D A -1.7002
222 C A 0.0000
223 A A 0.0724
224 C A 0.3830
225 L A 0.8166
226 P A -0.1168
227 G A -0.2734
228 F A -0.1659
229 E A -1.8176
230 G A -0.7772
231 Q A -1.2898
232 N A -0.4890
233 C A 0.0000
234 E A -1.0849
235 V A 0.8038
236 N A -0.0275
237 V A 0.5105
238 D A -1.7795
239 D A -1.1898
240 C A -0.1136
241 P A -0.3243
242 G A -0.5997
243 H A -0.8961
244 R A -1.9178
245 C A 0.0296
246 L A 1.2749
247 N A -0.6372
248 G A -0.6208
249 G A -0.1167
250 T A -0.0615
251 C A 0.2443
252 V A 0.7266
253 D A -0.4947
254 G A 0.1436
255 V A 1.5275
256 N A -0.9719
257 T A -0.2429
258 Y A -0.1235
259 N A -1.2190
260 C A -0.3661
261 Q A -1.1489
262 C A -0.0533
263 P A -0.0676
264 P A -0.3845
265 E A -0.6969
266 W A -0.0197
267 T A -0.0535
268 G A -0.4918
269 Q A -1.1971
270 F A 0.0715
271 C A 0.0000
272 T A -0.4052
273 E A -1.9065
274 D A -0.7169
275 V A 0.0000
276 D A -0.5363
277 E A -0.1672
278 C A -0.1494
279 Q A -0.8970
280 L A 1.1347
281 Q A -0.6863
282 P A -0.6523
283 N A -1.3179
284 A A -0.2215
285 C A 0.0000
286 H A -0.8469
287 N A -0.4325
288 G A -0.4520
289 G A -0.1130
290 T A -0.0274
291 C A 0.4785
292 F A 1.8458
293 N A -0.3197
294 T A 0.0823
295 L A 1.5105
296 G A 0.0520
297 G A -0.1551
298 H A -0.4847
299 S A -0.2589
300 C A 0.3973
301 V A 1.8245
302 C A 0.5623
303 V A 0.2219
304 N A -0.6166
305 G A 0.0000
306 W A 0.0000
307 T A -0.0699
308 G A -0.5687
309 E A -1.8741
310 S A -0.3936
311 C A 0.0000
312 S A -0.4183
313 Q A -1.2995
314 N A -0.3714
315 I A 0.6971
316 D A -1.6801
317 D A -0.8205
318 C A 0.0391
319 A A 0.0677
320 T A -0.0586
321 A A 0.3358
322 V A 1.7953
323 C A 0.5936
324 F A 0.4934
325 H A -0.9560
326 G A -0.6455
327 A A -0.0586
328 T A -0.0353
329 C A 0.0527
330 H A -0.5115
331 D A -0.7417
332 R A -1.8130
333 V A -0.1525
334 A A 0.0377
335 S A 0.0000
336 F A 0.4886
337 Y A 1.1969
338 C A 0.0000
339 A A 0.0747
340 C A 0.2712
341 P A 0.1600
342 M A 1.0222
343 G A -0.0194
344 K A -0.7683
345 T A -0.1116
346 G A -0.0185
347 L A 0.3471
348 L A 0.3857
349 C A 0.0000
350 H A -0.9531
351 L A -0.3035
352 D A -1.8791
353 D A -0.7475
354 A A -0.0383
355 C A 0.3789
356 V A 1.5586
357 S A -0.1513
358 N A -1.3326
359 P A -0.3359
360 C A 0.0217
361 H A -0.5103
362 E A -2.1792
363 D A -2.1174
364 A A 0.0771
365 I A 2.0425
366 C A 0.2106
367 D A -1.7610
368 T A 0.0000
369 N A -0.1499
370 P A -0.0183
371 V A 0.0590
372 N A -1.1563
373 G A -0.6617
374 R A -1.8612
375 A A -0.2363
376 I A 0.5627
377 C A 0.1990
378 T A -0.0152
379 C A 0.1908
380 P A -0.0371
381 P A -0.2704
382 G A -0.0305
383 F A 0.1625
384 T A -0.0719
385 G A -0.4718
386 G A -0.5310
387 A A -0.0487
388 C A 0.0000
389 D A -2.0069
390 Q A -1.5854
391 D A -0.4553
392 V A 0.1275
393 D A -1.2247
394 E A -0.5216
395 C A 0.0879
396 S A 0.1863
397 I A 1.8876
398 G A -0.0831
399 A A -0.2530
400 N A -1.2297
401 P A -0.2576
402 C A 0.0000
403 E A -1.5071
404 H A -0.3555
405 L A 1.4805
406 G A 0.0000
407 R A -1.9678
408 C A 0.0000
409 V A 0.4721
410 N A -0.2149
411 T A -0.2562
412 Q A -1.2140
413 G A -0.2971
414 S A 0.0538
415 F A 0.8163
416 L A 1.5802
417 C A 0.1172
418 Q A -1.3329
419 C A -0.0391
420 G A -0.5457
421 R A -1.8988
422 G A -0.1622
423 Y A 0.0159
424 T A -0.0355
425 G A -0.2066
426 P A -0.5597
427 R A -1.6062
428 C A 0.0000
429 E A -1.3184
430 T A -0.5109
431 D A -1.1307
432 V A 0.1397
433 N A -0.9046
434 E A -0.8940
435 C A 0.2616
436 L A 1.5309
437 S A -0.0146
438 G A -0.5114
439 P A -0.1055
440 C A -0.1635
441 R A -1.9387
442 N A -1.1561
443 Q A -1.3053
444 A A -0.1984
445 T A -0.0415
446 C A 0.2353
447 L A 0.4857
448 D A -0.6138
449 R A -1.6096
450 I A 1.3493
451 G A 0.0000
452 Q A -1.1235
453 F A 0.1221
454 T A 0.0405
455 C A 0.4592
456 I A 2.0679
457 C A 0.6704
458 M A 0.4853
459 A A 0.1293
460 G A -0.2353
461 F A -0.0442
462 T A -0.0519
463 G A -0.2664
464 T A 0.0193
465 Y A 0.7393
466 C A 0.0000
467 E A -0.5381
468 V A 0.7245
469 D A -1.3936
470 I A 0.1705
471 D A -1.8283
472 E A -1.3561
473 C A -0.3023
474 Q A -1.2190
475 S A -0.4682
476 S A -0.2590
477 P A -0.0693
478 C A 0.2701
479 V A 0.9648
480 N A -0.8341
481 G A -0.6486
482 G A 0.1978
483 V A 1.7876
484 C A 0.2612
485 K A -1.5120
486 D A -2.2608
487 R A -1.7763
488 V A 1.2036
489 N A -0.9777
490 G A -0.2169
491 F A 0.2145
492 S A 0.0909
493 C A 0.0977
494 T A -0.0002
495 C A 0.1398
496 P A -0.1198
497 S A -0.2464
498 G A -0.3421
499 F A 0.0781
500 S A 0.0486
501 G A -0.3883
502 S A -0.2757
503 T A -0.0421
504 C A 0.0000
505 Q A -0.9558
506 L A 0.7883
507 D A -1.3847
508 V A -0.0198
509 D A -1.8378
510 E A -1.2144
511 C A -0.0517
512 A A 0.0383
513 S A -0.2149
514 T A -0.1166
515 P A -0.0570
516 C A 0.0000
517 R A -1.9170
518 N A -0.8192
519 G A -0.5361
520 A A -0.3533
521 K A -1.6850
522 C A -0.1361
523 V A 0.1900
524 D A -1.8168
525 Q A -1.4639
526 P A -0.7734
527 D A -1.8665
528 G A -0.3371
529 Y A -0.0457
530 E A -1.7097
531 C A -0.5756
532 R A -1.7804
533 C A -0.0642
534 A A -0.2476
535 E A -1.8152
536 G A 0.0000
537 F A -0.0364
538 E A -1.2394
539 G A -0.4935
540 T A 0.0088
541 L A 0.6920
542 C A 0.0000
543 D A -2.1195
544 R A -2.2488
545 N A -0.6241
546 V A 0.3822
547 D A -1.8060
548 D A -1.1787
549 C A -0.2606
550 S A -0.2597
551 P A -0.6275
552 D A -1.8279
553 P A -0.3437
554 C A -0.2271
555 H A -1.0665
556 H A -0.6988
557 G A -0.5165
558 R A -1.8504
559 C A -0.0882
560 V A 0.5821
561 D A -1.5771
562 G A -0.1262
563 I A 1.9929
564 A A 0.3752
565 S A -0.0639
566 F A 0.3047
567 S A -0.0881
568 C A 0.0707
569 A A -0.0869
570 C A 0.2447
571 A A 0.0118
572 P A -0.2598
573 G A -0.3351
574 Y A 0.0394
575 T A -0.0435
576 G A -0.2572
577 T A -0.2925
578 R A -1.0067
579 C A 0.0000
580 E A -1.7494
581 S A -0.6450
582 Q A -1.1192
583 V A 0.0031
584 D A -1.0364
585 E A -0.9601
586 C A -0.4004
587 R A -1.8694
588 S A -0.7590
589 Q A -1.2428
590 P A -0.2390
591 C A -0.2901
592 R A -1.9595
593 H A -1.1287
594 G A -0.6026
595 G A -0.4193
596 K A -1.7112
597 C A 0.0000
598 L A 0.1155
599 D A -1.5819
600 L A 0.5429
601 V A 1.5491
602 D A -1.7868
603 K A -1.9761
604 Y A -0.0356
605 L A 1.2704
606 C A -0.0216
607 R A -1.7796
608 C A -0.0952
609 P A -0.1067
610 S A -0.2453
611 G A -0.2704
612 T A 0.0000
613 T A -0.0858
614 G A 0.0775
615 V A 1.6899
616 N A 0.1056
617 C A 0.0000
618 E A -0.3467
619 V A 0.9262
620 N A -0.4462
621 I A 0.7248
622 D A -1.7321
623 D A -1.2122
624 C A -0.0752
625 A A 0.0341
626 S A -0.4274
627 N A -1.3211
628 P A -0.2738
629 C A 0.1439
630 T A 0.1314
631 F A 1.0171
632 G A 0.3531
633 V A 1.7817
634 C A 0.1235
635 R A -1.9331
636 D A -0.9208
637 G A -0.2417
638 I A 0.9882
639 N A -1.3855
640 R A -2.0137
641 Y A -0.3092
642 D A -1.7121
643 C A 0.0000
644 V A 0.6909
645 C A 0.0896
646 Q A -1.0650
647 P A -0.4552
648 G A -0.2872
649 F A -0.0361
650 T A -0.0294
651 G A -0.2260
652 P A -0.1478
653 L A 0.7500
654 C A 0.0000
655 N A -0.9550
656 V A 1.2150
657 E A -1.3117
658 I A 0.3030
659 N A -1.2452
660 E A -0.9421
661 C A 0.0200
662 A A 0.0450
663 S A -0.2403
664 S A -0.2628
665 P A -0.0899
666 C A 0.0422
667 G A -0.4323
668 E A -1.9248
669 G A -0.8102
670 G A -0.1794
671 S A -0.2006
672 C A 0.2679
673 V A 0.5419
674 D A -1.6225
675 G A -1.0039
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1991 L A 0.0000
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1994 H A -0.3163
1995 F A 1.1395
1996 A A 0.0000
1997 N A -0.4625
1998 R A -0.8187
1999 E A -1.8396
2000 I A -0.0225
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2002 D A 0.0000
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2012 A A 0.0000
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2014 E A -2.3021
2015 R A -1.7638
2016 L A 1.1056
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2018 Q A -1.1852
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2273 P A -0.2865
2274 A A -0.0040
2275 T A -0.0486
2276 A A 0.0314
2277 T A -0.1541
2278 G A -0.4680
2279 A A 0.1746
2280 M A 1.0786
2281 A A 0.2820
2282 T A -0.0771
2283 T A -0.1012
2284 T A -0.2004
2285 G A -0.4727
2286 A A 0.2793
2287 L A 1.5128
2288 P A 0.0392
2289 A A -0.2761
2290 Q A -1.2326
2291 P A -0.1820
2292 L A 1.4515
2293 P A 0.3173
2294 L A 1.4470
2295 S A 0.5253
2296 V A 1.6794
2297 P A 0.0611
2298 S A -0.3129
2299 S A 0.0233
2300 L A 1.5228
2301 A A 0.2271
2302 Q A -1.1738
2303 A A -0.4504
2304 Q A -1.2024
2305 T A -0.5503
2306 Q A -0.9123
2307 L A 1.1970
2308 G A -0.1217
2309 P A -0.5888
2310 Q A -1.3069
2311 P A -0.8850
2312 E A -1.4954
2313 V A 1.3744
2314 T A 0.2115
2315 P A -0.6710
2316 K A -2.1003
2317 R A -2.4386
2318 Q A -1.2816
2319 V A 1.8254
2320 L A 1.8900
2321 A A 0.3626
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Laboratory of Theory of Biopolymers 2018