Project name: C278Y

Status: done

Started: 2026-05-12 07:10:57
Settings
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDEYQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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]                                                (00:00:06)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:06)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:06)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:06)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:09)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:17:37)
[INFO]       Main:     Simulation completed successfully.                                          (00:18:31)
Show buried residues

Minimal score value
-2.6032
Maximal score value
2.6102
Average score
-0.277
Total score value
-643.025

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 0.9686
2 G A -0.3225
3 P A -0.4384
4 G A -0.5063
5 A A -0.3894
6 R A -1.9242
7 G A -1.1718
8 R A -2.2642
9 R A -2.6032
10 R A -2.5906
11 R A -2.5869
12 R A -2.5945
13 R A -2.2178
14 P A -0.3906
15 M A 0.9674
16 S A -0.0670
17 P A -0.3385
18 P A -0.3462
19 P A -0.3459
20 P A -0.3465
21 P A -0.3465
22 P A -0.3142
23 P A -0.0472
24 V A 1.5266
25 R A -1.5162
26 A A 0.0026
27 L A 1.5127
28 P A 0.3028
29 L A 1.7806
30 L A 2.1071
31 L A 2.1112
32 L A 2.1072
33 L A 1.8346
34 A A 0.2567
35 G A -0.5011
36 P A -0.4241
37 G A -0.5024
38 A A -0.0176
39 A A 0.0800
40 A A 0.0541
41 P A -0.0971
42 P A -0.1214
43 C A 0.3859
44 L A 1.2465
45 D A -1.5930
46 G A -0.8308
47 S A -0.3112
48 P A -0.0921
49 C A -0.1486
50 A A -0.1228
51 N A -0.9645
52 G A -0.6268
53 G A 0.0000
54 R A -1.8441
55 C A 0.0000
56 T A -0.1211
57 Q A -0.4179
58 L A 0.5898
59 P A -0.1600
60 S A -0.5856
61 R A -2.2139
62 E A -2.1522
63 A A -0.3778
64 A A 0.0304
65 C A 0.3762
66 L A 1.6076
67 C A 0.5107
68 P A -0.0691
69 P A -0.2777
70 G A -0.0810
71 W A 0.0690
72 V A 0.2874
73 G A -0.3668
74 E A -2.1356
75 R A -1.9959
76 C A 0.0000
77 Q A -0.4444
78 L A -0.1763
79 E A -1.7852
80 D A -0.5852
81 P A -0.0718
82 C A -0.0774
83 H A -1.0087
84 S A -0.4762
85 G A -0.5155
86 P A -0.1316
87 C A -0.0127
88 A A 0.0088
89 G A -0.4993
90 R A -1.8865
91 G A -0.0435
92 V A 1.7838
93 C A 0.3735
94 Q A -0.4579
95 S A -0.0815
96 S A -0.0692
97 V A 1.0379
98 V A 1.8858
99 A A 0.2923
100 G A -0.4646
101 T A -0.1330
102 A A 0.0000
103 R A -1.6990
104 F A 0.3816
105 S A -0.0525
106 C A -0.2799
107 R A -1.7837
108 C A -0.1254
109 P A -0.3506
110 R A -1.8634
111 G A -0.2655
112 F A 0.7235
113 R A -0.2048
114 G A -0.2902
115 P A -0.4201
116 D A -0.7706
117 C A 0.0000
118 S A -0.0822
119 L A 0.6310
120 P A -0.0643
121 D A -0.3365
122 P A -0.0744
123 C A 0.2983
124 L A 1.1008
125 S A -0.0480
126 S A -0.2592
127 P A -0.0703
128 C A 0.0736
129 A A -0.1261
130 H A -0.9203
131 G A -0.6163
132 A A -0.3917
133 R A -1.8030
134 C A -0.1579
135 S A -0.0491
136 V A 0.6399
137 G A 0.0226
138 P A -0.5870
139 D A -1.8441
140 G A -0.6687
141 R A -1.6150
142 F A 0.3580
143 L A 1.6167
144 C A 0.3437
145 S A -0.1533
146 C A 0.1976
147 P A -0.0709
148 P A -0.2765
149 G A -0.0752
150 Y A -0.1091
151 Q A -1.2499
152 G A -1.0170
153 R A -1.9376
154 S A -0.3764
155 C A 0.0000
156 R A -1.8746
157 S A -0.5936
158 D A -0.4199
159 V A 0.1795
160 D A -0.4993
161 E A -0.7852
162 C A -0.3243
163 R A -1.4949
164 V A 1.3866
165 G A -0.2705
166 E A -1.8783
167 P A -0.3868
168 C A 0.0000
169 R A -2.0005
170 H A -1.2787
171 G A -0.6302
172 G A -0.1235
173 T A -0.0576
174 C A 0.2416
175 L A 0.5443
176 N A -0.3875
177 T A -0.1069
178 P A -0.2692
179 G A -0.1517
180 S A -0.0763
181 F A -0.0127
182 R A -1.7473
183 C A -0.4571
184 Q A -1.1398
185 C A -0.0227
186 P A -0.0606
187 A A -0.0224
188 G A -0.2457
189 Y A 0.2967
190 T A 0.0279
191 G A -0.2212
192 P A -0.2162
193 L A 0.3478
194 C A 0.0000
195 E A -0.7293
196 N A -1.2886
197 P A -0.4023
198 A A 0.2177
199 V A 1.2421
200 P A 0.2179
201 C A 0.1190
202 A A -0.0189
203 P A -0.2675
204 S A -0.1657
205 P A -0.0639
206 C A 0.0000
207 R A -1.6890
208 N A -1.1518
209 G A -0.6146
210 G A -0.1100
211 T A -0.0606
212 C A -0.2525
213 R A -2.0423
214 Q A -1.4622
215 S A -0.3929
216 G A -0.5399
217 D A -1.5417
218 L A 1.2145
219 T A 0.2913
220 Y A -0.0274
221 D A -1.6961
222 C A 0.0000
223 A A 0.0758
224 C A 0.3972
225 L A 0.8743
226 P A -0.1061
227 G A -0.2768
228 F A -0.1730
229 E A -1.8195
230 G A -0.7757
231 Q A -1.2814
232 N A -0.4512
233 C A 0.0000
234 E A -1.1492
235 V A 0.7507
236 N A -0.0225
237 V A 0.5519
238 D A -1.7753
239 D A -1.2042
240 C A -0.1151
241 P A -0.3243
242 G A -0.6023
243 H A -0.9105
244 R A -1.9201
245 C A 0.0315
246 L A 1.2157
247 N A -0.6550
248 G A -0.6214
249 G A -0.1195
250 T A -0.1828
251 C A 0.2852
252 V A 0.9695
253 D A -0.5095
254 G A 0.1060
255 V A 1.5218
256 N A -0.9710
257 T A -0.2525
258 Y A -0.1670
259 N A -1.2252
260 C A -0.3713
261 Q A -1.1629
262 C A -0.0880
263 P A -0.0714
264 P A -0.3732
265 E A -0.6143
266 W A 0.0078
267 T A -0.2431
268 G A -0.4970
269 Q A -1.1823
270 F A 0.1606
271 C A 0.0000
272 T A -0.4052
273 E A -1.8999
274 D A -0.6589
275 V A 0.0000
276 D A -0.6411
277 E A 0.0000
278 Y A 0.5800
279 Q A -0.7672
280 L A 1.1568
281 Q A -0.7081
282 P A -0.5513
283 N A -1.3143
284 A A -0.2207
285 C A 0.0000
286 H A -1.1335
287 N A -1.0523
288 G A -0.6165
289 G A -0.1085
290 T A -0.0273
291 C A 0.0000
292 F A 0.2380
293 N A -0.6406
294 T A 0.0684
295 L A 1.4918
296 G A 0.0080
297 G A -0.2371
298 H A -0.5630
299 S A -0.1993
300 C A 0.2060
301 V A 0.8067
302 C A 0.3861
303 V A 0.2462
304 N A -1.1898
305 G A 0.0000
306 W A 0.1130
307 T A -0.0442
308 G A -0.5787
309 E A -1.8717
310 S A -0.3696
311 C A 0.0000
312 S A -0.4329
313 Q A -1.3073
314 N A -0.4061
315 I A 0.5426
316 D A -1.7240
317 D A -0.9142
318 C A 0.0162
319 A A 0.0667
320 T A -0.0588
321 A A 0.3364
322 V A 1.7938
323 C A 0.6569
324 F A 0.8392
325 H A -0.8911
326 G A -0.6444
327 A A -0.0598
328 T A -0.0375
329 C A 0.0764
330 H A -0.3808
331 D A -0.8064
332 R A -1.6947
333 V A 0.9985
334 A A 0.2620
335 S A -0.2272
336 F A 0.4779
337 Y A 0.9197
338 C A 0.0000
339 A A 0.0759
340 C A 0.2696
341 P A 0.1589
342 M A 1.0193
343 G A -0.0400
344 K A -0.8093
345 T A -0.1231
346 G A 0.1940
347 L A 1.5948
348 L A 0.6379
349 C A 0.0000
350 H A -0.3847
351 L A -0.1983
352 D A -1.8850
353 D A -0.7788
354 A A -0.0422
355 C A 0.3154
356 V A 1.2087
357 S A -0.2154
358 N A -1.3291
359 P A -0.3159
360 C A 0.0332
361 H A -0.4641
362 E A -2.1712
363 D A -2.1179
364 A A 0.0769
365 I A 2.0464
366 C A 0.2305
367 D A -1.7572
368 T A 0.0000
369 N A -0.3832
370 P A 0.0043
371 V A 1.4945
372 N A -0.9673
373 G A -0.5998
374 R A -1.5214
375 A A -0.1432
376 I A 0.7376
377 C A 0.2243
378 T A -0.0187
379 C A 0.1852
380 P A 0.0000
381 P A -0.2651
382 G A -0.0529
383 F A 0.1552
384 T A -0.0669
385 G A -0.4667
386 G A -0.5310
387 A A -0.0516
388 C A 0.0000
389 D A -2.0089
390 Q A -1.6081
391 D A -0.5931
392 V A 0.0178
393 D A -0.8659
394 E A -0.8323
395 C A -0.0021
396 S A 0.2881
397 I A 1.9071
398 G A -0.0815
399 A A -0.2142
400 N A -1.0015
401 P A 0.0000
402 C A 0.0000
403 E A -1.7693
404 H A -0.4059
405 L A 1.4792
406 G A 0.0000
407 R A -1.8858
408 C A -0.1344
409 V A 0.5650
410 N A 0.0099
411 T A -0.2315
412 Q A -1.2163
413 G A -0.3311
414 S A -0.1086
415 F A 0.5707
416 L A 1.3244
417 C A 0.2066
418 Q A -0.7146
419 C A 0.0596
420 G A -0.5915
421 R A -1.8981
422 G A 0.0000
423 Y A -0.0995
424 T A -0.0453
425 G A -0.2101
426 P A -0.5483
427 R A -1.5272
428 C A 0.0000
429 E A -0.9761
430 T A -0.5500
431 D A -1.6256
432 V A 0.2872
433 N A -0.5553
434 E A -0.4185
435 C A 0.3180
436 L A 1.5266
437 S A -0.0154
438 G A -0.5121
439 P A -0.1078
440 C A -0.1426
441 R A -1.9446
442 N A -1.1888
443 Q A -1.3112
444 A A -0.2025
445 T A -0.0441
446 C A 0.2263
447 L A 0.3016
448 D A -1.4754
449 R A -1.6994
450 I A 1.6682
451 G A 0.0000
452 Q A -0.9035
453 F A -0.0781
454 T A 0.0159
455 C A 0.3951
456 I A 1.7526
457 C A 0.6230
458 M A 0.6363
459 A A 0.1545
460 G A -0.2566
461 F A -0.0398
462 T A -0.0433
463 G A -0.2474
464 T A 0.0497
465 Y A 0.8882
466 C A 0.0000
467 E A -0.4281
468 V A 0.6978
469 D A -1.4236
470 I A 0.0468
471 D A -1.6095
472 E A -1.1631
473 C A -0.2789
474 Q A -1.2195
475 S A -0.4700
476 S A -0.2584
477 P A -0.0657
478 C A 0.2332
479 V A 0.8336
480 N A -0.7318
481 G A -0.6265
482 G A 0.2111
483 V A 1.7885
484 C A 0.1684
485 K A -1.7543
486 D A -1.0098
487 R A -1.5977
488 V A 1.2015
489 N A -0.9756
490 G A -0.2147
491 F A 0.5361
492 S A 0.0878
493 C A 0.0972
494 T A -0.0185
495 C A 0.1400
496 P A -0.1109
497 S A -0.2439
498 G A -0.3880
499 F A 0.0081
500 S A -0.1048
501 G A -0.3244
502 S A -0.2635
503 T A -0.0420
504 C A 0.0000
505 Q A -0.9692
506 L A 0.6862
507 D A -1.4041
508 V A -0.0075
509 D A -1.8104
510 E A -1.2747
511 C A -0.0709
512 A A 0.0367
513 S A -0.2148
514 T A -0.1170
515 P A -0.0585
516 C A 0.0000
517 R A -1.9142
518 N A -0.8042
519 G A -0.5340
520 A A -0.3586
521 K A -1.6838
522 C A -0.1383
523 V A 0.1904
524 D A -1.5842
525 Q A -1.1556
526 P A -0.7288
527 D A -1.8674
528 G A -0.3341
529 Y A 0.0903
530 E A -1.1736
531 C A -0.4857
532 R A -1.7827
533 C A -0.0922
534 A A -0.2602
535 E A -1.8264
536 G A -0.3435
537 F A -0.2440
538 E A -1.6555
539 G A -0.5887
540 T A 0.0125
541 L A 0.7258
542 C A 0.0000
543 D A -2.1208
544 R A -2.4037
545 N A -1.4489
546 V A 0.2158
547 D A -1.6931
548 D A -1.0223
549 C A -0.2759
550 S A -0.4472
551 P A -0.6348
552 D A -1.8489
553 P A -0.3495
554 C A 0.0000
555 H A -1.0688
556 H A -0.6393
557 G A -0.5156
558 R A -1.8520
559 C A 0.0480
560 V A 1.2857
561 D A -0.8799
562 G A -0.0722
563 I A 1.9821
564 A A 0.3548
565 S A -0.0659
566 F A 0.4447
567 S A -0.0725
568 C A 0.0837
569 A A 0.1218
570 C A 0.2877
571 A A 0.0311
572 P A -0.2620
573 G A -0.2777
574 Y A 0.0565
575 T A -0.0548
576 G A -0.2820
577 T A -0.2909
578 R A -0.9791
579 C A 0.0000
580 E A -1.2671
581 S A -0.5402
582 Q A -1.0227
583 V A 0.4059
584 D A -1.3613
585 E A -0.6552
586 C A 0.0000
587 R A -1.8837
588 S A -0.7697
589 Q A -1.2429
590 P A -0.2551
591 C A 0.0000
592 R A -1.9228
593 H A -0.8498
594 G A -0.5516
595 G A -0.4151
596 K A -1.7094
597 C A 0.0000
598 L A -0.0166
599 D A -1.5776
600 L A 0.5318
601 V A 1.5459
602 D A -1.7814
603 K A -1.9370
604 Y A 0.1854
605 L A 1.3070
606 C A -0.0331
607 R A -1.7839
608 C A -0.1100
609 P A -0.0820
610 S A -0.2431
611 G A -0.3231
612 T A 0.0000
613 T A -0.0936
614 G A 0.0980
615 V A 1.6864
616 N A 0.0703
617 C A 0.0000
618 E A -0.3869
619 V A 0.9515
620 N A -0.3975
621 I A 0.8553
622 D A -1.6943
623 D A -1.1322
624 C A -0.0561
625 A A 0.0358
626 S A -0.4302
627 N A -1.3203
628 P A -0.2636
629 C A 0.1220
630 T A 0.1333
631 F A 1.0093
632 G A 0.1759
633 V A 1.0770
634 C A -0.0520
635 R A -1.9621
636 D A -1.0272
637 G A -0.2915
638 I A 0.8209
639 N A -1.4304
640 R A -2.0236
641 Y A -0.3588
642 D A -1.6972
643 C A 0.0580
644 V A 1.5787
645 C A 0.1927
646 Q A -1.2279
647 P A -0.6510
648 G A 0.0000
649 F A -0.0203
650 T A -0.0131
651 G A -0.1969
652 P A -0.1728
653 L A 0.5654
654 C A 0.0000
655 N A -0.6940
656 V A 0.6807
657 E A -1.3940
658 I A 0.3362
659 N A -1.1486
660 E A -0.4867
661 C A 0.0628
662 A A 0.0375
663 S A -0.2411
664 S A -0.2603
665 P A -0.0694
666 C A 0.1348
667 G A -0.3476
668 E A -1.9199
669 G A -0.8173
670 G A -0.1476
671 S A -0.2005
672 C A 0.2197
673 V A 0.3246
674 D A -1.6247
675 G A -0.9758
676 E A -2.1125
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1991 L A 0.0000
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1994 H A -0.1774
1995 F A 1.9254
1996 A A 0.0000
1997 N A -0.4333
1998 R A -0.7462
1999 E A -1.3081
2000 I A 0.0785
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2011 V A 0.0000
2012 A A 0.0000
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2014 E A -2.1855
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2016 L A 1.2216
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2018 Q A -1.3833
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2273 P A -0.2882
2274 A A -0.0023
2275 T A -0.0456
2276 A A 0.0266
2277 T A -0.1496
2278 G A -0.4686
2279 A A 0.1664
2280 M A 1.0777
2281 A A 0.2841
2282 T A -0.0728
2283 T A -0.1017
2284 T A -0.1754
2285 G A -0.4642
2286 A A 0.2282
2287 L A 1.5070
2288 P A 0.0702
2289 A A -0.2685
2290 Q A -1.2334
2291 P A -0.1877
2292 L A 1.4456
2293 P A 0.3770
2294 L A 1.4517
2295 S A 0.4799
2296 V A 1.6798
2297 P A 0.0388
2298 S A -0.3110
2299 S A 0.1200
2300 L A 1.5074
2301 A A 0.0606
2302 Q A -1.1735
2303 A A -0.4424
2304 Q A -1.1982
2305 T A -0.5281
2306 Q A -0.8476
2307 L A 1.1805
2308 G A -0.2461
2309 P A -0.5946
2310 Q A -1.2989
2311 P A -0.8634
2312 E A -1.5215
2313 V A 1.3996
2314 T A 0.2570
2315 P A -0.6603
2316 K A -2.1008
2317 R A -2.3842
2318 Q A -1.1897
2319 V A 1.8216
2320 L A 1.8920
2321 A A 0.4240
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Laboratory of Theory of Biopolymers 2018