Project name: R985C

Status: done

Started: 2026-05-11 08:54:52
Settings
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFCCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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                                        (00:00:03)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:32:29)
[INFO]       Main:     Simulation completed successfully.                                          (00:33:50)
Show buried residues

Minimal score value
-2.6313
Maximal score value
2.2621
Average score
-0.276
Total score value
-640.5126

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 0.9672
2 G A -0.3193
3 P A -0.4310
4 G A -0.5042
5 A A -0.4370
6 R A -1.9179
7 G A -1.1476
8 R A -2.2969
9 R A -2.5593
10 R A -2.5256
11 R A -2.6204
12 R A -2.6313
13 R A -2.2382
14 P A -0.4174
15 M A 0.9662
16 S A -0.0633
17 P A -0.3457
18 P A -0.3529
19 P A -0.3474
20 P A -0.3524
21 P A -0.3520
22 P A -0.3467
23 P A 0.0447
24 V A 1.3850
25 R A -1.5084
26 A A 0.0088
27 L A 1.5118
28 P A 0.3196
29 L A 1.7886
30 L A 2.1249
31 L A 2.1241
32 L A 2.1242
33 L A 1.8471
34 A A 0.2616
35 G A -0.5021
36 P A -0.4265
37 G A -0.5027
38 A A -0.0173
39 A A 0.0801
40 A A 0.0481
41 P A -0.1138
42 P A -0.0466
43 C A 0.3620
44 L A 1.2377
45 D A -1.5905
46 G A -0.7978
47 S A -0.1926
48 P A -0.2500
49 C A -0.0310
50 A A -0.1351
51 N A -0.9890
52 G A -0.6404
53 G A -0.4407
54 R A -1.7183
55 C A 0.3838
56 T A -0.1092
57 Q A -1.0979
58 L A 0.2969
59 P A -0.1836
60 S A -0.5378
61 R A -2.2090
62 E A -2.1600
63 A A 0.0000
64 A A 0.0123
65 C A 0.0000
66 L A 1.1045
67 C A 0.3963
68 P A -0.0784
69 P A -0.2822
70 G A -0.0796
71 W A 0.1695
72 V A 0.3029
73 G A -0.3605
74 E A -1.9396
75 R A -0.9131
76 C A 0.0000
77 Q A -0.4597
78 L A -0.1924
79 E A -1.7730
80 D A -0.5806
81 P A -0.0678
82 C A -0.0767
83 H A -1.0092
84 S A -0.4760
85 G A -0.5158
86 P A -0.1336
87 C A -0.0023
88 A A -0.0071
89 G A -0.5958
90 R A -1.9042
91 G A -0.0477
92 V A 1.7891
93 C A 0.3209
94 Q A -0.9019
95 S A -0.1412
96 S A -0.0536
97 V A 0.8242
98 V A 1.7353
99 A A 0.2714
100 G A -0.4648
101 T A -0.1342
102 A A 0.0000
103 R A -1.6346
104 F A 0.2439
105 S A -0.0825
106 C A -0.2830
107 R A -1.7877
108 C A -0.1450
109 P A -0.3668
110 R A -1.8679
111 G A -0.2432
112 F A 0.8573
113 R A -0.2289
114 G A -0.2552
115 P A -0.3978
116 D A -0.6944
117 C A 0.0000
118 S A -0.0658
119 L A 0.7138
120 P A -0.0194
121 D A -0.1875
122 P A -0.0609
123 C A 0.2395
124 L A 0.9328
125 S A -0.0762
126 S A -0.2591
127 P A -0.0692
128 C A 0.0722
129 A A -0.1246
130 H A -0.9193
131 G A -0.6153
132 A A -0.3988
133 R A -1.8288
134 C A -0.2932
135 S A -0.0406
136 V A 0.6485
137 G A 0.0000
138 P A -0.5783
139 D A -1.8484
140 G A -0.7186
141 R A -1.7704
142 F A 0.2936
143 L A 1.6104
144 C A 0.3321
145 S A -0.1662
146 C A 0.1237
147 P A -0.0830
148 P A -0.2786
149 G A -0.0585
150 Y A -0.1835
151 Q A -1.2595
152 G A -1.0327
153 R A -1.9347
154 S A -0.3443
155 C A 0.0000
156 R A -1.8836
157 S A -0.6985
158 D A -0.7224
159 V A 0.1572
160 D A -0.3862
161 E A -0.8366
162 C A -0.3506
163 R A -1.4983
164 V A 1.3848
165 G A -0.2883
166 E A -1.8783
167 P A -0.3664
168 C A 0.0000
169 R A -1.7969
170 H A -1.2210
171 G A -0.6276
172 G A -0.1274
173 T A -0.0583
174 C A 0.2386
175 L A 0.5320
176 N A -0.4002
177 T A -0.1141
178 P A -0.2692
179 G A -0.1561
180 S A -0.0963
181 F A -0.0643
182 R A -1.7558
183 C A -0.4584
184 Q A -1.1400
185 C A -0.0259
186 P A -0.0550
187 A A 0.0234
188 G A -0.0009
189 Y A 0.3373
190 T A 0.0162
191 G A -0.2229
192 P A -0.2083
193 L A 0.3910
194 C A 0.0000
195 E A -1.0992
196 N A -1.3969
197 P A -0.4118
198 A A 0.3173
199 V A 1.6712
200 P A 0.3074
201 C A 0.1371
202 A A -0.0044
203 P A -0.2665
204 S A -0.1762
205 P A -0.0570
206 C A -0.3124
207 R A -2.0021
208 N A -1.3566
209 G A -0.6428
210 G A -0.1153
211 T A -0.0609
212 C A -0.2482
213 R A -2.0513
214 Q A -1.5418
215 S A -0.4234
216 G A -0.5250
217 D A -1.6217
218 L A 0.7595
219 T A 0.1735
220 Y A -0.2544
221 D A -1.7350
222 C A 0.0000
223 A A 0.0732
224 C A 0.3871
225 L A 0.8859
226 P A -0.1019
227 G A -0.2824
228 F A -0.1696
229 E A -1.8124
230 G A -0.7434
231 Q A -1.2868
232 N A -0.5094
233 C A 0.0000
234 E A -1.2370
235 V A 0.7600
236 N A -0.0530
237 V A 0.3314
238 D A -1.7428
239 D A -0.8147
240 C A -0.0458
241 P A -0.3244
242 G A -0.5987
243 H A -0.8928
244 R A -1.9301
245 C A 0.0000
246 L A 1.2429
247 N A -0.6234
248 G A -0.6174
249 G A -0.1194
250 T A -0.0620
251 C A 0.2899
252 V A 0.9845
253 D A -0.4816
254 G A 0.0978
255 V A 1.5284
256 N A -0.9220
257 T A -0.2510
258 Y A -0.1193
259 N A -1.2156
260 C A -0.3659
261 Q A -1.1506
262 C A -0.0654
263 P A -0.0726
264 P A -0.3762
265 E A -0.6290
266 W A -0.0099
267 T A -0.0606
268 G A -0.5250
269 Q A -1.1963
270 F A 0.1013
271 C A 0.0000
272 T A -0.4057
273 E A -1.9034
274 D A -0.6690
275 V A -0.0790
276 D A -0.9969
277 E A -0.3300
278 C A -0.1621
279 Q A -0.8959
280 L A 1.0768
281 Q A -0.9616
282 P A -0.7002
283 N A -1.3177
284 A A -0.2215
285 C A 0.0000
286 H A -1.0311
287 N A -0.9867
288 G A -0.6096
289 G A -0.1275
290 T A -0.0471
291 C A 0.4647
292 F A 1.7684
293 N A -0.2386
294 T A 0.0864
295 L A 1.5063
296 G A 0.1032
297 G A -0.1898
298 H A -0.5179
299 S A -0.2472
300 C A 0.4012
301 V A 1.8251
302 C A 0.6123
303 V A 0.3678
304 N A -1.1694
305 G A 0.0000
306 W A 0.1225
307 T A -0.0389
308 G A -0.5605
309 E A -1.8731
310 S A -0.3957
311 C A 0.0000
312 S A -0.4317
313 Q A -1.3051
314 N A -0.4013
315 I A 0.5147
316 D A -1.7075
317 D A -0.7769
318 C A 0.0499
319 A A 0.0681
320 T A -0.0585
321 A A 0.3270
322 V A 1.7408
323 C A 0.6433
324 F A 0.8317
325 H A -0.8941
326 G A -0.6435
327 A A -0.0614
328 T A -0.0374
329 C A 0.0887
330 H A -0.4286
331 D A -0.7506
332 R A -1.6377
333 V A -0.0064
334 A A 0.0600
335 S A -0.2128
336 F A 0.2879
337 Y A 1.0976
338 C A 0.0000
339 A A 0.0753
340 C A 0.2556
341 P A 0.1470
342 M A 1.0168
343 G A -0.0648
344 K A -0.9104
345 T A -0.1345
346 G A 0.1970
347 L A 1.5891
348 L A 0.5890
349 C A 0.0000
350 H A -0.3901
351 L A -0.1742
352 D A -1.8950
353 D A -0.7889
354 A A -0.0424
355 C A 0.4087
356 V A 1.7500
357 S A -0.1175
358 N A -1.3333
359 P A -0.3400
360 C A 0.0066
361 H A -0.6215
362 E A -2.1981
363 D A -2.1163
364 A A 0.0745
365 I A 2.0418
366 C A 0.1960
367 D A -1.7617
368 T A 0.0000
369 N A 0.0000
370 P A 0.1997
371 V A 1.6097
372 N A -0.4906
373 G A -0.5795
374 R A -1.8632
375 A A 0.0000
376 I A 0.4065
377 C A 0.0000
378 T A -0.0267
379 C A 0.1706
380 P A -0.0377
381 P A -0.2677
382 G A -0.0204
383 F A 0.2141
384 T A -0.0398
385 G A -0.4399
386 G A -0.5255
387 A A -0.0466
388 C A 0.0000
389 D A -2.0059
390 Q A -1.5822
391 D A -0.4536
392 V A 0.0664
393 D A -1.1242
394 E A -0.5118
395 C A 0.0800
396 S A -0.0518
397 I A 0.5856
398 G A -0.5481
399 A A -0.2297
400 N A -1.1015
401 P A -0.2332
402 C A 0.0000
403 E A -1.4009
404 H A -0.5652
405 L A 1.4379
406 G A 0.0000
407 R A -1.9703
408 C A 0.0000
409 V A 0.5559
410 N A -0.2110
411 T A -0.2600
412 Q A -1.2165
413 G A -0.3233
414 S A -0.0511
415 F A 0.7374
416 L A 1.3352
417 C A 0.0742
418 Q A -1.3358
419 C A -0.0423
420 G A -0.5817
421 R A -1.8966
422 G A 0.0000
423 Y A 0.0734
424 T A -0.0380
425 G A -0.1802
426 P A -0.5072
427 R A -1.3327
428 C A 0.0000
429 E A -0.6941
430 T A 0.0000
431 D A -0.4422
432 V A 0.5744
433 N A -0.0518
434 E A -0.3624
435 C A 0.0000
436 L A 0.9145
437 S A -0.1228
438 G A -0.5118
439 P A -0.1069
440 C A -0.1480
441 R A -1.9462
442 N A -1.1977
443 Q A -1.3127
444 A A -0.2032
445 T A -0.0696
446 C A 0.0000
447 L A 0.0000
448 D A 0.0000
449 R A -1.5300
450 I A 1.3423
451 G A 0.0000
452 Q A -1.1202
453 F A 0.1967
454 T A 0.0604
455 C A 0.0000
456 I A 1.2567
457 C A 0.5224
458 M A 0.5817
459 A A 0.1571
460 G A 0.0000
461 F A 0.0000
462 T A -0.0831
463 G A -0.2501
464 T A 0.0443
465 Y A 0.8651
466 C A 0.0000
467 E A -0.4202
468 V A 0.7251
469 D A -1.3926
470 I A 0.3053
471 D A -1.4333
472 E A -0.6665
473 C A -0.2003
474 Q A -1.2210
475 S A -0.4686
476 S A -0.2590
477 P A -0.0700
478 C A 0.2516
479 V A 0.8953
480 N A -0.7855
481 G A -0.6382
482 G A 0.2021
483 V A 1.7856
484 C A 0.2197
485 K A -1.6710
486 D A -2.2786
487 R A -1.8522
488 V A 1.1469
489 N A -0.9794
490 G A -0.2018
491 F A 0.5233
492 S A 0.1220
493 C A 0.1004
494 T A 0.0046
495 C A 0.1354
496 P A -0.1056
497 S A -0.2309
498 G A 0.0000
499 F A -0.0001
500 S A 0.0194
501 G A -0.4109
502 S A -0.2797
503 T A -0.0432
504 C A 0.0000
505 Q A -0.9612
506 L A 0.7520
507 D A -1.4006
508 V A -0.0287
509 D A -1.8185
510 E A -1.1045
511 C A -0.0372
512 A A 0.0374
513 S A -0.2150
514 T A -0.1144
515 P A -0.0431
516 C A 0.0000
517 R A -1.5671
518 N A -1.3695
519 G A -0.6497
520 A A -0.3552
521 K A -1.6988
522 C A 0.0000
523 V A 0.2228
524 D A -1.6640
525 Q A -1.2831
526 P A -0.7464
527 D A -1.8547
528 G A -0.3451
529 Y A 0.0372
530 E A -1.0649
531 C A -0.4798
532 R A -1.7831
533 C A -0.0875
534 A A -0.2613
535 E A -1.8263
536 G A -0.3358
537 F A -0.0841
538 E A -1.7108
539 G A -0.7829
540 T A -0.0852
541 L A 0.3764
542 C A 0.0000
543 D A -2.1168
544 R A -2.1842
545 N A -0.4479
546 V A 0.3306
547 D A -1.0365
548 D A -0.7972
549 C A -0.2437
550 S A -0.4431
551 P A -0.6323
552 D A -1.8468
553 P A -0.3489
554 C A 0.0000
555 H A -1.0726
556 H A -0.6568
557 G A -0.4913
558 R A -1.8600
559 C A 0.0000
560 V A 1.5908
561 D A -0.6379
562 G A 0.0045
563 I A 1.9902
564 A A 0.3541
565 S A -0.0838
566 F A 0.3494
567 S A -0.0947
568 C A 0.0672
569 A A -0.0783
570 C A 0.2416
571 A A 0.0121
572 P A -0.2589
573 G A -0.3246
574 Y A 0.0502
575 T A -0.0633
576 G A -0.3017
577 T A -0.3055
578 R A -1.0415
579 C A 0.0000
580 E A -1.8165
581 S A -0.6468
582 Q A -0.8706
583 V A 0.3724
584 D A -1.2489
585 E A -0.5546
586 C A -0.2914
587 R A -1.8648
588 S A -0.7630
589 Q A -1.2416
590 P A -0.2312
591 C A -0.3025
592 R A -1.9450
593 H A -1.0450
594 G A -0.5875
595 G A -0.4126
596 K A -1.6961
597 C A -0.1745
598 L A -0.0142
599 D A -1.5012
600 L A 0.8928
601 V A 1.5079
602 D A -1.8099
603 K A -1.8500
604 Y A -0.0050
605 L A 1.1942
606 C A 0.0000
607 R A -1.7978
608 C A -0.0990
609 P A -0.0933
610 S A -0.2452
611 G A -0.2852
612 T A 0.0000
613 T A -0.0857
614 G A 0.0927
615 V A 1.6907
616 N A 0.1007
617 C A 0.0000
618 E A -0.6367
619 V A 0.8593
620 N A -0.2949
621 I A 0.6116
622 D A -1.7362
623 D A -1.1056
624 C A -0.0604
625 A A 0.0334
626 S A -0.4282
627 N A -1.3196
628 P A -0.2636
629 C A 0.1530
630 T A 0.1523
631 F A 1.1375
632 G A 0.2447
633 V A 1.0212
634 C A 0.0000
635 R A -1.9374
636 D A -0.8045
637 G A -0.2619
638 I A 0.6712
639 N A -1.4458
640 R A -2.0007
641 Y A -0.2381
642 D A -1.6794
643 C A 0.0552
644 V A 1.5815
645 C A 0.2616
646 Q A -0.9683
647 P A -0.4377
648 G A -0.1301
649 F A -0.0777
650 T A -0.0333
651 G A -0.2111
652 P A -0.1317
653 L A 0.8044
654 C A 0.0000
655 N A -0.9559
656 V A 1.2180
657 E A -1.2607
658 I A 0.5999
659 N A -1.1158
660 E A -0.5263
661 C A 0.0896
662 A A 0.0450
663 S A -0.2407
664 S A -0.2610
665 P A -0.0758
666 C A 0.0506
667 G A -0.4968
668 E A -1.9380
669 G A -0.8128
670 G A -0.1582
671 S A -0.1973
672 C A 0.2596
673 V A 0.3976
674 D A -1.6247
675 G A -0.9412
676 E A -2.1019
677 N A -1.6355
678 G A -0.2367
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1991 L A 0.0000
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1994 H A -0.3903
1995 F A 0.7817
1996 A A 0.0000
1997 N A -0.8137
1998 R A -0.8047
1999 E A -1.8228
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2012 A A 0.0000
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2016 L A 1.1209
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2276 A A 0.0328
2277 T A -0.1450
2278 G A -0.4685
2279 A A 0.1622
2280 M A 1.0749
2281 A A 0.2438
2282 T A -0.0736
2283 T A -0.0979
2284 T A -0.1709
2285 G A -0.4685
2286 A A 0.2745
2287 L A 1.5131
2288 P A 0.0357
2289 A A -0.2167
2290 Q A -1.2339
2291 P A -0.1847
2292 L A 1.4541
2293 P A 0.3086
2294 L A 1.4605
2295 S A 0.4128
2296 V A 1.6853
2297 P A 0.0359
2298 S A -0.3091
2299 S A 0.0168
2300 L A 1.5235
2301 A A 0.2000
2302 Q A -1.1754
2303 A A -0.4716
2304 Q A -1.1976
2305 T A -0.5255
2306 Q A -0.9117
2307 L A 1.2276
2308 G A -0.2281
2309 P A -0.5801
2310 Q A -1.2961
2311 P A -0.8428
2312 E A -1.5155
2313 V A 1.3961
2314 T A 0.2056
2315 P A -0.5806
2316 K A -2.1800
2317 R A -2.4679
2318 Q A -1.1432
2319 V A 1.8144
2320 L A 1.9170
2321 A A 0.3613
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Laboratory of Theory of Biopolymers 2018