Project name: G1347R_10

Status: done

Started: 2026-06-12 06:59:29
Settings
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHRGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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                                          (00:24:40)
[INFO]       Main:     Simulation completed successfully.                                          (00:25:46)
Show buried residues

Minimal score value
-4.8356
Maximal score value
5.6383
Average score
-0.7374
Total score value
-1711.5885

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 0.7083
2 G A -0.1899
3 P A -0.6265
4 G A -1.0550
5 A A -1.5155
6 R A -2.8755
7 G A -2.9975
8 R A -4.0585
9 R A -4.3677
10 R A -4.8356
11 R A -4.8190
12 R A -3.9975
13 R A -3.2435
14 P A -1.4108
15 M A -0.0018
16 S A -0.2333
17 P A -0.3268
18 P A -0.5169
19 P A -0.6865
20 P A -0.6986
21 P A -0.3844
22 P A -0.3200
23 P A -0.0840
24 V A 0.8574
25 R A -0.6796
26 A A 0.5519
27 L A 1.8984
28 P A 1.8663
29 L A 3.3789
30 L A 4.0026
31 L A 3.8646
32 L A 3.7280
33 L A 2.8901
34 A A 1.4284
35 G A -0.0276
36 P A -0.3026
37 G A -0.6691
38 A A -0.2797
39 A A -0.2766
40 A A -0.2837
41 P A -0.9539
42 P A -0.9081
43 C A -0.7589
44 L A 0.1756
45 D A -1.3141
46 G A -0.9121
47 S A -0.7002
48 P A -0.8575
49 C A -1.0493
50 A A -1.2401
51 N A -1.6684
52 G A -1.2022
53 G A -1.0344
54 R A -1.3849
55 C A 0.0306
56 T A -0.7298
57 Q A -1.7089
58 L A -1.2531
59 P A -1.3060
60 S A -1.7447
61 R A -3.0330
62 E A -2.7642
63 A A 0.0000
64 A A -0.7812
65 C A -0.3020
66 L A 0.7107
67 C A 0.0117
68 P A -0.2112
69 P A -0.4606
70 G A -1.0346
71 W A -1.0470
72 V A -0.7822
73 G A -0.8912
74 E A -1.8244
75 R A -1.5695
76 C A 0.0000
77 Q A -1.6300
78 L A -1.4707
79 E A -2.3379
80 D A -1.6879
81 P A -1.4450
82 C A -1.0564
83 H A -1.6133
84 S A -1.1473
85 G A -0.8910
86 P A -0.4698
87 C A -0.8987
88 A A -0.6050
89 G A -1.0588
90 R A -1.6683
91 G A -1.1284
92 V A 0.3824
93 C A -0.4021
94 Q A -1.0201
95 S A -0.6918
96 S A -0.2059
97 V A 0.5462
98 V A 1.3712
99 A A 0.5322
100 G A -0.2788
101 T A -0.1993
102 A A 0.0000
103 R A -1.5078
104 F A -0.7404
105 S A -1.0039
106 C A -1.0590
107 R A -1.8029
108 C A -1.0897
109 P A -1.2410
110 R A -1.7186
111 G A -0.2467
112 F A -0.1209
113 R A -0.6086
114 G A -0.5711
115 P A -0.8554
116 D A -1.0079
117 C A 0.0000
118 S A -0.3104
119 L A 0.5276
120 P A 0.2032
121 D A -0.0310
122 P A 0.1379
123 C A 0.3279
124 L A 0.8086
125 S A 0.2759
126 S A -0.1323
127 P A -0.4266
128 C A -1.2376
129 A A -1.6340
130 H A -1.6888
131 G A -1.2876
132 A A -1.6400
133 R A -1.9660
134 C A 0.0000
135 S A -0.2288
136 V A 0.0911
137 G A -0.6781
138 P A -1.2212
139 D A -2.2710
140 G A -1.4755
141 R A -1.9584
142 F A -0.6136
143 L A -0.2422
144 C A -0.9283
145 S A -1.0574
146 C A -1.4163
147 P A -0.8474
148 P A -0.5429
149 G A -0.7692
150 Y A -1.8409
151 Q A -2.4426
152 G A -2.4896
153 R A -2.4642
154 S A -1.9851
155 C A 0.0000
156 R A -2.9545
157 S A -2.3012
158 D A -1.8880
159 V A -0.9365
160 D A -0.8070
161 E A -0.9170
162 C A -1.1862
163 R A -1.5925
164 V A 0.2917
165 G A -0.9690
166 E A -2.1935
167 P A -1.6197
168 C A 0.0000
169 R A -2.6594
170 H A -2.0134
171 G A -1.6134
172 G A -1.6531
173 T A -1.2427
174 C A -1.3342
175 L A -0.6006
176 N A -1.0702
177 T A -0.7161
178 P A -0.9015
179 G A -1.0158
180 S A -0.6641
181 F A -0.7476
182 R A -1.8008
183 C A -1.5992
184 Q A -1.5066
185 C A -1.2415
186 P A -0.5976
187 A A 0.1312
188 G A 0.0305
189 Y A -0.4241
190 T A -0.7120
191 G A -0.9860
192 P A -1.1082
193 L A -1.4071
194 C A 0.0000
195 E A -1.8370
196 N A -1.6263
197 P A -0.4408
198 A A 0.2666
199 V A 0.9477
200 P A -0.0761
201 C A -0.2757
202 A A 0.0981
203 P A -0.0188
204 S A -0.7259
205 P A -1.0524
206 C A -2.1066
207 R A -2.8347
208 N A -2.0287
209 G A -1.3139
210 G A -1.5174
211 T A -1.2050
212 C A -1.8431
213 R A -2.9100
214 Q A -2.3927
215 S A -1.7732
216 G A -1.3033
217 D A -1.2344
218 L A 0.4939
219 T A -0.5715
220 Y A -1.5370
221 D A -2.7810
222 C A 0.0000
223 A A -0.9330
224 C A -0.8155
225 L A 0.0433
226 P A -0.1191
227 G A -0.7061
228 F A -1.3434
229 E A -2.2382
230 G A -1.9184
231 Q A -2.3283
232 N A -2.3201
233 C A 0.0000
234 E A -2.1205
235 V A -1.1709
236 N A -1.5177
237 V A -1.2703
238 D A -1.9987
239 D A -2.0529
240 C A -1.6962
241 P A -1.4056
242 G A -1.3766
243 H A -1.6569
244 R A -2.0456
245 C A 0.0000
246 L A 0.2818
247 N A -0.1537
248 G A -0.2114
249 G A 0.0000
250 T A -0.5728
251 C A -0.6805
252 V A -0.4333
253 D A -1.0927
254 G A -0.4582
255 V A 0.4371
256 N A -0.9788
257 T A -0.7974
258 Y A -1.3748
259 N A -1.8129
260 C A -1.3061
261 Q A -1.4088
262 C A -1.0242
263 P A -0.5790
264 P A -0.7764
265 E A -1.1599
266 W A 0.0000
267 T A -1.4553
268 G A -1.4378
269 Q A -1.8584
270 F A -1.2708
271 C A 0.0000
272 T A -0.9722
273 E A -2.0343
274 D A -1.3945
275 V A -0.9457
276 D A -1.0902
277 E A -1.1590
278 C A -1.0857
279 Q A -1.2430
280 L A -0.0607
281 Q A -1.5158
282 P A -1.5191
283 N A -2.1559
284 A A -1.6020
285 C A 0.0000
286 H A -2.0068
287 N A -1.5315
288 G A -1.0908
289 G A -0.7582
290 T A -0.2434
291 C A -0.5202
292 F A 0.0837
293 N A -0.5095
294 T A -0.0293
295 L A 0.3689
296 G A -0.4326
297 G A -0.3192
298 H A -0.6007
299 S A -0.5534
300 C A 0.0000
301 V A 0.0000
302 C A -0.3397
303 V A 0.5044
304 N A 0.2731
305 G A 0.0000
306 W A -0.4952
307 T A -1.0216
308 G A -1.4948
309 E A -2.2624
310 S A -1.7685
311 C A 0.0000
312 S A -1.6205
313 Q A -1.9640
314 N A -1.1681
315 I A -0.6313
316 D A -1.9128
317 D A -0.9221
318 C A -0.4516
319 A A -0.3991
320 T A -0.0847
321 A A 0.5689
322 V A 1.4345
323 C A 1.2123
324 F A 0.7148
325 H A -0.6837
326 G A -0.5142
327 A A 0.1578
328 T A 0.1540
329 C A 0.2630
330 H A -0.6468
331 D A -1.0368
332 R A -0.4024
333 V A 0.5501
334 A A 0.1549
335 S A 0.0113
336 F A 0.4253
337 Y A 1.0860
338 C A 0.0000
339 A A 0.4776
340 C A 0.3914
341 P A 0.1505
342 M A 0.8329
343 G A 0.0076
344 K A -0.9711
345 T A -0.7753
346 G A -0.1049
347 L A 0.9405
348 L A 1.0994
349 C A 0.0000
350 H A -0.2582
351 L A -1.1974
352 D A -2.0629
353 D A -1.2243
354 A A -1.0355
355 C A -0.1368
356 V A 0.8983
357 S A -0.0083
358 N A -0.9442
359 P A -1.0255
360 C A -1.2435
361 H A -2.2312
362 E A -2.8992
363 D A -2.2291
364 A A -0.7930
365 I A 1.1629
366 C A 0.2078
367 D A -0.3153
368 T A 0.0000
369 N A -0.7973
370 P A 0.0000
371 V A 0.6869
372 N A -1.0586
373 G A -1.7502
374 R A -2.2546
375 A A -0.8868
376 I A 0.2490
377 C A -0.0312
378 T A 0.5533
379 C A -0.3010
380 P A -0.3247
381 P A -0.6451
382 G A -0.7788
383 F A -1.4783
384 T A -1.2041
385 G A -1.3795
386 G A -0.9549
387 A A -1.3062
388 C A 0.0000
389 D A -2.9352
390 Q A -2.6104
391 D A -2.0261
392 V A -1.0354
393 D A -1.0989
394 E A -0.2594
395 C A -0.1516
396 S A 0.0877
397 I A 1.2044
398 G A 0.1919
399 A A -0.5196
400 N A -1.3813
401 P A -0.9014
402 C A 0.0000
403 E A -2.1649
404 H A -1.5466
405 L A -0.0202
406 G A 0.0000
407 R A -2.0161
408 C A 0.0000
409 V A 0.1097
410 N A -0.4587
411 T A -0.4525
412 Q A -1.7070
413 G A -1.4614
414 S A -0.2763
415 F A 0.5355
416 L A 1.0016
417 C A -0.5597
418 Q A -1.3444
419 C A -1.4587
420 G A -1.3616
421 R A -2.0045
422 G A -1.2325
423 Y A -1.1911
424 T A -1.3212
425 G A -1.0136
426 P A -0.5763
427 R A -1.3155
428 C A 0.0000
429 E A -2.0332
430 T A -1.4824
431 D A -1.6878
432 V A -0.8569
433 N A -0.8067
434 E A -0.7622
435 C A -0.0698
436 L A 0.9369
437 S A 0.0962
438 G A -0.5386
439 P A -0.3296
440 C A -0.6292
441 R A -2.2610
442 N A -1.9973
443 Q A -1.8075
444 A A -0.5352
445 T A 0.2254
446 C A 0.2843
447 L A 0.2202
448 D A -0.8183
449 R A -1.0627
450 I A 0.0935
451 G A -1.1265
452 Q A -1.4038
453 F A -0.3490
454 T A 0.2055
455 C A 0.6773
456 I A 1.5958
457 C A 0.6534
458 M A 0.1376
459 A A 0.2469
460 G A 0.0000
461 F A -0.2802
462 T A -0.0514
463 G A -0.0003
464 T A 0.2840
465 Y A 0.3540
466 C A 0.0000
467 E A -1.0018
468 V A -0.2631
469 D A -1.8278
470 I A -1.4793
471 D A -3.1521
472 E A -2.9526
473 C A -2.1771
474 Q A -2.2342
475 S A -1.3342
476 S A -0.5192
477 P A -0.1666
478 C A 0.2753
479 V A 0.5263
480 N A -0.7163
481 G A -0.2352
482 G A 0.3730
483 V A 1.2279
484 C A -0.5604
485 K A -2.3018
486 D A -3.6132
487 R A -2.8860
488 V A -0.5540
489 N A -1.4902
490 G A -1.4807
491 F A -1.6103
492 S A -0.7933
493 C A 0.1890
494 T A 0.3677
495 C A 0.3606
496 P A -0.3220
497 S A -0.9380
498 G A -1.9394
499 F A -0.9774
500 S A -0.5841
501 G A -0.5211
502 S A -0.2439
503 T A 0.0399
504 C A 0.0000
505 Q A -0.9923
506 L A -0.3506
507 D A -2.4902
508 V A -1.8456
509 D A -2.8849
510 E A -2.8723
511 C A -1.7509
512 A A -1.0352
513 S A -0.7320
514 T A -0.9257
515 P A -0.7997
516 C A 0.0000
517 R A -2.8185
518 N A -2.9254
519 G A -2.3023
520 A A -2.7751
521 K A -2.9554
522 C A -2.2304
523 V A -1.9085
524 D A -3.3656
525 Q A -2.9461
526 P A -2.6006
527 D A -2.9530
528 G A -2.2159
529 Y A -2.0966
530 E A -2.1972
531 C A -2.2613
532 R A -2.8696
533 C A -2.8461
534 A A -2.1295
535 E A -1.9160
536 G A -1.4054
537 F A -2.6640
538 E A -3.4305
539 G A -2.1514
540 T A -1.2940
541 L A -1.4621
542 C A 0.0000
543 D A -2.6921
544 R A -3.6197
545 N A -2.8963
546 V A -1.8456
547 D A -2.4171
548 D A -1.4766
549 C A -1.6212
550 S A -1.5883
551 P A -1.5628
552 D A -2.6718
553 P A -1.9027
554 C A 0.0000
555 H A -2.5122
556 H A -1.9519
557 G A -1.8102
558 R A -2.2165
559 C A -1.1914
560 V A -0.0333
561 D A -0.9212
562 G A 0.2167
563 I A 0.9796
564 A A -0.1651
565 S A 0.1097
566 F A 0.0470
567 S A -0.2132
568 C A -0.9163
569 A A -0.4922
570 C A -0.8527
571 A A -0.4172
572 P A -0.3711
573 G A -0.6820
574 Y A -0.8697
575 T A -0.9009
576 G A -1.2242
577 T A -1.0038
578 R A -2.3080
579 C A 0.0000
580 E A -2.5544
581 S A -1.7253
582 Q A -1.4411
583 V A -1.3424
584 D A -2.2231
585 E A -2.1611
586 C A -2.1853
587 R A -2.8625
588 S A -1.8806
589 Q A -2.6414
590 P A -1.4361
591 C A -1.7737
592 R A -2.8535
593 H A -1.7529
594 G A -1.9742
595 G A -2.2164
596 K A -2.7547
597 C A -1.7106
598 L A -0.7754
599 D A -1.6882
600 L A -0.1561
601 V A 0.0869
602 D A -2.0206
603 K A -1.7732
604 Y A -0.4937
605 L A 0.5153
606 C A -0.8515
607 R A -2.0227
608 C A -1.2040
609 P A -1.2892
610 S A -0.5190
611 G A -0.7359
612 T A 0.0000
613 T A 0.0372
614 G A 0.1785
615 V A 1.3014
616 N A -0.5460
617 C A 0.0000
618 E A -0.7787
619 V A 0.4473
620 N A -0.7771
621 I A -0.1155
622 D A -2.2403
623 D A -2.9459
624 C A -2.0441
625 A A -1.0717
626 S A -1.2069
627 N A -1.3560
628 P A -0.4150
629 C A 0.1411
630 T A 0.5643
631 F A 1.3026
632 G A 0.7041
633 V A 1.1706
634 C A -0.5382
635 R A -2.7807
636 D A -2.7384
637 G A -2.1621
638 I A -0.7791
639 N A -2.1629
640 R A -3.0897
641 Y A -2.8644
642 D A -2.4077
643 C A 0.0000
644 V A 0.2855
645 C A 0.2365
646 Q A -0.9945
647 P A -1.5132
648 G A -2.0099
649 F A 0.0000
650 T A -0.2179
651 G A -0.0659
652 P A -0.2201
653 L A 0.6105
654 C A 0.0000
655 N A -0.5453
656 V A 0.1025
657 E A -1.9058
658 I A -1.4610
659 N A -2.1171
660 E A -2.1598
661 C A -0.9815
662 A A -0.7180
663 S A -0.6187
664 S A -0.5428
665 P A -0.3644
666 C A -0.1294
667 G A -0.6422
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1997 N A -1.5596
1998 R A -1.6060
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2252 P A -1.9282
2253 E A -2.4874
2254 H A -1.4039
2255 W A 0.2055
2256 A A 0.0479
2257 S A -0.2133
2258 P A -0.4225
2259 S A -0.5993
2260 P A -0.4586
2261 P A -0.2238
2262 S A 0.2657
2263 L A 0.9784
2264 S A -0.0667
2265 D A -1.1873
2266 W A -0.1739
2267 S A -0.9976
2268 E A -1.9650
2269 S A -1.2761
2270 T A -0.8827
2271 P A -0.6949
2272 S A -0.4981
2273 P A -0.4172
2274 A A -0.1706
2275 T A -0.1876
2276 A A -0.1344
2277 T A -0.2666
2278 G A -0.2088
2279 A A 0.3457
2280 M A 0.9843
2281 A A 0.4974
2282 T A 0.1383
2283 T A -0.2256
2284 T A -0.3425
2285 G A -0.1573
2286 A A 0.5246
2287 L A 1.3499
2288 P A 0.2941
2289 A A -0.4465
2290 Q A -1.0029
2291 P A -0.1181
2292 L A 1.3456
2293 P A 1.2327
2294 L A 1.9703
2295 S A 1.3606
2296 V A 1.8013
2297 P A 0.4138
2298 S A 0.2425
2299 S A 0.4989
2300 L A 1.1541
2301 A A 0.1146
2302 Q A -1.0639
2303 A A -1.1875
2304 Q A -1.7174
2305 T A -0.9740
2306 Q A -0.8075
2307 L A 0.6334
2308 G A -0.3392
2309 P A -0.8288
2310 Q A -1.7851
2311 P A -1.3783
2312 E A -1.3539
2313 V A 0.5951
2314 T A -0.0819
2315 P A -1.4219
2316 K A -2.8356
2317 R A -2.7186
2318 Q A -1.3207
2319 V A 1.3094
2320 L A 1.9885
2321 A A 1.2149
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Laboratory of Theory of Biopolymers 2018