Project name: 86b8e1e78f39a57

Status: done

Started: 2026-06-04 21:56:40
Settings
Chain sequence(s) A: MSEQGDLNQAIAEEGGTEQETATPENGIVKSESLDEEEKLELQRRLEAQNQERRKSKSGAGKGKLTRSLAVCEESSARPGGESLQDQESIHLQLSSFSSLQEEDKSRKDDSEREKEKDKNKDKTSEKPKIRMLSKDCSQEYTDSTGIDLHEFLINTLKNNSRDRMILLKMEQEIIDFIADNNNHYKKFPQMSSYQRMLVHRVAAYFGLDHNVDQTGKSVIINKTSSTRIPEQRFCEHLKDEKGEESQKRFILKRDNSSIDKEDNQSVCSQESLFVENSRLLEDSNICNETYKKRQLFRGNRDGSGRTSGSRQSSSENELKWSDHQRAWSSTDSDSSNRNLKPAMTKTASFGGITVLTRGDSTSSTRSTGKLSKAGSESSSSAGSSGSLSRTHPPLQSTPLVSGVAAGSPGCVPYPENGIGGQVAPSSTSYILLPLEAATGIPPGSILLNPHTGQPFVNPDGTPAIYNPPTSQQPLRSAMVGQSQQQPPQQQPSPQPQQQVQPPQPQMAGPLVTQSVQGLQASSQSVQYPAVSFPPQHLLPVSPTQHFPMRDDVATQFGQMTLSRQSSGETPEPPSGPVYPSSLMPQPAQQPSYVIASTGQQLPTGGFSGSGPPISQQVLQPPPSPQGFVQQPPPAQMPVYYYPSGQYPTSTTQQYRPMAPVQYNAQRSQQMPQAAQQAGYQPVLSGQQGFQGLIGVQQPPQSQNVINNQQGTPVQSVMVSYPTMSSYQVPMTQGSQGLPQQSYQQPIMLPNQAGQGSLPATGMPVYCNVTPPTPQNNLRLIGPHCPSSTVPVMSASCRTNCASMSNAGWQVKF
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:06:35)
[INFO]       Main:     Simulation completed successfully.                                          (00:06:44)
Show buried residues

Minimal score value
-5.3437
Maximal score value
3.3454
Average score
-0.7603
Total score value
-618.128

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 0.3891
2 S A -0.9983
3 E A -2.6157
4 Q A -2.6354
5 G A -2.2460
6 D A -2.0697
7 L A -0.4953
8 N A -1.4428
9 Q A -0.9959
10 A A 0.2727
11 I A 1.4423
12 A A -0.1495
13 E A -2.4457
14 E A -3.1047
15 G A -1.9899
16 G A -1.5436
17 T A -1.5439
18 E A -2.9896
19 Q A -3.2035
20 E A -2.9360
21 T A -1.2099
22 A A -0.6653
23 T A -0.6294
24 P A -1.5141
25 E A -2.4494
26 N A -1.6602
27 G A -0.4216
28 I A 1.6515
29 V A 1.2269
30 K A -0.8499
31 S A -1.1322
32 E A -2.7439
33 S A -2.2694
34 L A -2.0495
35 D A -3.8773
36 E A -4.2409
37 E A -4.0229
38 E A -4.0989
39 K A -3.6813
40 L A -2.1952
41 E A -2.8758
42 L A -1.8019
43 Q A -2.4249
44 R A -3.5441
45 R A -2.9036
46 L A -1.5841
47 E A -3.6987
48 A A -3.5611
49 Q A -4.0229
50 N A -4.5187
51 Q A -4.6692
52 E A -5.3027
53 R A -5.3437
54 R A -5.3293
55 K A -4.6591
56 S A -3.4088
57 K A -3.1731
58 S A -1.9295
59 G A -1.2721
60 A A -1.1009
61 G A -1.7261
62 K A -2.4312
63 G A -1.8403
64 K A -1.8873
65 L A -0.1247
66 T A -0.5810
67 R A -1.3726
68 S A 0.0624
69 L A 1.5391
70 A A 1.3726
71 V A 1.8338
72 C A 0.4016
73 E A -1.9378
74 E A -2.4528
75 S A -1.5624
76 S A -1.4029
77 A A -1.2298
78 R A -2.1619
79 P A -1.6406
80 G A -1.6410
81 G A -1.9097
82 E A -1.9336
83 S A -0.7077
84 L A 0.0825
85 Q A -1.9189
86 D A -3.1607
87 Q A -3.0711
88 E A -2.7027
89 S A -0.6783
90 I A 1.1160
91 H A 0.3105
92 L A 1.3817
93 Q A 0.2129
94 L A 1.3162
95 S A 0.7736
96 S A 0.8057
97 F A 1.9979
98 S A 0.7786
99 S A 0.3525
100 L A 0.3492
101 Q A -2.0704
102 E A -3.5072
103 E A -4.1000
104 D A -4.1125
105 K A -3.7104
106 S A -2.7740
107 R A -3.5407
108 K A -3.9169
109 D A -4.0289
110 D A -3.6409
111 S A -2.7559
112 E A -3.6765
113 R A -4.1206
114 E A -4.4671
115 K A -4.3839
116 E A -4.3721
117 K A -4.2749
118 D A -4.2023
119 K A -4.0077
120 N A -3.8145
121 K A -3.9969
122 D A -3.7929
123 K A -3.2837
124 T A -2.0939
125 S A -2.1811
126 E A -3.2822
127 K A -2.9527
128 P A -2.0779
129 K A -1.9486
130 I A 0.5202
131 R A -0.4387
132 M A 0.9548
133 L A 0.9313
134 S A -0.7080
135 K A -1.9851
136 D A -2.8247
137 C A -2.1387
138 S A -2.3054
139 Q A -2.5484
140 E A -2.6814
141 Y A -1.6130
142 T A -1.3578
143 D A -0.8649
144 S A -0.4561
145 T A -0.3279
146 G A -0.5350
147 I A -0.1221
148 D A -1.3656
149 L A 0.0000
150 H A -1.3951
151 E A -1.9493
152 F A -0.7980
153 L A 0.0000
154 I A -0.9814
155 N A -1.6719
156 T A -1.5831
157 L A 0.0000
158 K A -1.7549
159 N A -2.3725
160 N A -2.3115
161 S A -1.8796
162 R A -2.2681
163 D A 0.0000
164 R A -1.4706
165 M A -0.8047
166 I A -0.6858
167 L A 0.0000
168 L A -0.7852
169 K A -1.9311
170 M A 0.0000
171 E A 0.0000
172 Q A -2.0294
173 E A -2.2234
174 I A 0.0000
175 I A -0.7987
176 D A -2.2901
177 F A 0.0000
178 I A -1.0116
179 A A -1.0745
180 D A -2.2775
181 N A -2.7972
182 N A -2.6094
183 N A -2.3888
184 H A -1.6936
185 Y A -0.3119
186 K A -0.9334
187 K A -1.3762
188 F A 0.0000
189 P A -1.3638
190 Q A -2.0401
191 M A -0.9697
192 S A -0.5060
193 S A -0.2686
194 Y A 0.7440
195 Q A -0.0951
196 R A -0.4960
197 M A 0.1811
198 L A 0.0000
199 V A 0.0000
200 H A -0.3709
201 R A -0.3682
202 V A 0.0000
203 A A 0.0000
204 A A -0.6184
205 Y A 0.0000
206 F A 0.0000
207 G A -0.6079
208 L A 0.0000
209 D A -1.1238
210 H A -0.9368
211 N A -0.9648
212 V A -0.1120
213 D A -1.0393
214 Q A -1.4112
215 T A -1.1369
216 G A -1.2177
217 K A -1.8684
218 S A 0.0000
219 V A 0.0000
220 I A -0.3517
221 I A 0.0000
222 N A -0.9139
223 K A -1.0129
224 T A -0.6627
225 S A -0.5417
226 S A -0.6099
227 T A -0.3575
228 R A -0.1399
229 I A 0.4756
230 P A -0.8234
231 E A -2.1905
232 Q A -2.2326
233 R A -1.5750
234 F A 0.0000
235 C A -1.0862
236 E A -2.4302
237 H A -1.9698
238 L A -2.2485
239 K A -3.7921
240 D A -4.3003
241 E A -4.4245
242 K A -4.4467
243 G A -4.0723
244 E A -4.9888
245 E A -4.8553
246 S A -3.1065
247 Q A -2.6643
248 K A -2.7732
249 R A -2.4757
250 F A -0.3191
251 I A 0.4792
252 L A -0.2465
253 K A -2.3143
254 R A -2.8797
255 D A -3.1969
256 N A -2.6754
257 S A -1.8681
258 S A -0.5264
259 I A 0.2552
260 D A -2.3337
261 K A -3.6567
262 E A -4.1978
263 D A -4.1947
264 N A -3.2055
265 Q A -2.1032
266 S A -0.2554
267 V A 1.0287
268 C A 0.4498
269 S A -0.4218
270 Q A -0.9841
271 E A -1.1972
272 S A -0.5612
273 L A 0.1167
274 F A 0.9277
275 V A 0.5679
276 E A -1.2136
277 N A -0.8973
278 S A -0.8272
279 R A -2.1652
280 L A -0.7046
281 L A -0.4756
282 E A -2.3626
283 D A -2.2385
284 S A -1.5128
285 N A -1.9598
286 I A -0.7483
287 C A -1.3124
288 N A -2.4234
289 E A -2.9042
290 T A -2.0874
291 Y A -1.4801
292 K A -3.3176
293 K A -3.1680
294 R A -2.8396
295 Q A -1.9950
296 L A 0.1289
297 F A 0.3774
298 R A -1.8935
299 G A -1.8586
300 N A -3.1441
301 R A -3.8642
302 D A -3.3570
303 G A -2.1684
304 S A -1.6595
305 G A -1.6002
306 R A -2.1958
307 T A -1.2951
308 S A -0.9176
309 G A -1.1193
310 S A -1.6798
311 R A -2.6979
312 Q A -2.3161
313 S A -1.3671
314 S A -1.0774
315 S A -1.8359
316 E A -3.0651
317 N A -2.9534
318 E A -2.4540
319 L A -0.2401
320 K A -1.2321
321 W A -0.0175
322 S A -1.4061
323 D A -2.5937
324 H A -2.9390
325 Q A -3.0736
326 R A -2.3890
327 A A -0.6205
328 W A 0.6296
329 S A 0.2718
330 S A -0.5450
331 T A -1.0385
332 D A -2.3945
333 S A -2.0824
334 D A -2.4572
335 S A -1.5128
336 S A -1.7588
337 N A -2.6562
338 R A -2.8168
339 N A -2.0500
340 L A -0.4100
341 K A -1.3435
342 P A -0.6040
343 A A 0.0522
344 M A 0.6166
345 T A -0.4400
346 K A -1.5238
347 T A -0.9514
348 A A -0.1162
349 S A 0.5722
350 F A 1.6739
351 G A 0.7655
352 G A 0.9084
353 I A 2.4447
354 T A 2.1695
355 V A 2.8126
356 L A 2.2424
357 T A 0.0186
358 R A -1.9941
359 G A -2.4108
360 D A -2.5200
361 S A -1.2905
362 T A -0.6918
363 S A -0.4161
364 S A -0.7328
365 T A -1.1727
366 R A -2.0549
367 S A -1.3998
368 T A -1.2318
369 G A -1.1625
370 K A -1.2644
371 L A 0.0906
372 S A -0.6813
373 K A -1.5215
374 A A -1.1199
375 G A -1.3399
376 S A -1.5079
377 E A -2.1945
378 S A -1.3634
379 S A -0.9113
380 S A -0.4686
381 S A -0.4376
382 A A -0.3741
383 G A -0.6437
384 S A -0.6560
385 S A -0.6936
386 G A -0.4055
387 S A 0.2112
388 L A 0.8565
389 S A -0.4312
390 R A -1.8632
391 T A -1.5597
392 H A -1.5565
393 P A -0.5424
394 P A -0.0677
395 L A 0.7479
396 Q A -0.6384
397 S A -0.6462
398 T A -0.2292
399 P A 0.7713
400 L A 2.2898
401 V A 2.3329
402 S A 1.1178
403 G A 0.7415
404 V A 1.5146
405 A A 0.7477
406 A A 0.1879
407 G A -0.5852
408 S A -0.5974
409 P A -0.5478
410 G A 0.1459
411 C A 1.1765
412 V A 2.1709
413 P A 1.4594
414 Y A 1.0425
415 P A -0.7068
416 E A -2.3735
417 N A -2.0383
418 G A -0.7608
419 I A 1.0364
420 G A 0.0636
421 G A -0.3711
422 Q A -0.4700
423 V A 1.0050
424 A A 0.3294
425 P A -0.1102
426 S A -0.2384
427 S A -0.3345
428 T A 0.0249
429 S A 0.6077
430 Y A 2.0856
431 I A 2.3707
432 L A 2.7059
433 L A 1.6633
434 P A 0.6295
435 L A 0.9022
436 E A -1.1484
437 A A -0.3825
438 A A -0.0609
439 T A -0.4007
440 G A -0.6175
441 I A -0.0616
442 P A -0.4800
443 P A -0.5527
444 G A -0.1119
445 S A 0.7316
446 I A 2.0746
447 L A 0.0000
448 L A 1.4172
449 N A -0.1630
450 P A -0.8020
451 H A -1.3084
452 T A -0.9704
453 G A -0.9445
454 Q A -0.7329
455 P A 0.9716
456 F A 1.8077
457 V A 1.6048
458 N A -0.1636
459 P A -1.0778
460 D A -1.9933
461 G A -0.9729
462 T A -0.1523
463 P A 1.0621
464 A A 1.6398
465 I A 2.1954
466 Y A 0.4480
467 N A -0.9109
468 P A -0.7129
469 P A -0.9011
470 T A -0.9465
471 S A -1.2820
472 Q A -1.7924
473 Q A -1.8047
474 P A -0.9519
475 L A 0.0025
476 R A -1.2947
477 S A -0.4298
478 A A 0.5275
479 M A 1.5836
480 V A 1.7750
481 G A 0.1800
482 Q A -1.4179
483 S A -1.7994
484 Q A -2.3965
485 Q A -2.4774
486 Q A -2.3559
487 P A -1.5918
488 P A -1.5143
489 Q A -2.3889
490 Q A -2.5143
491 Q A -2.2219
492 P A -1.3405
493 S A -1.0079
494 P A -1.0507
495 Q A -1.7726
496 P A -1.7843
497 Q A -2.4214
498 Q A -2.1229
499 Q A -1.4916
500 V A 0.3356
501 Q A -0.7701
502 P A -0.8943
503 P A -1.2820
504 Q A -1.7685
505 P A -1.3307
506 Q A -0.9957
507 M A 0.2936
508 A A 0.0382
509 G A -0.0384
510 P A 0.5767
511 L A 2.1899
512 V A 2.2001
513 T A 0.5748
514 Q A -0.6004
515 S A -0.2518
516 V A 0.7220
517 Q A -0.2820
518 G A -0.2198
519 L A 0.4323
520 Q A -0.4603
521 A A -0.3511
522 S A -0.8053
523 S A -0.7629
524 Q A -1.1665
525 S A -0.1519
526 V A 1.0610
527 Q A 0.0511
528 Y A 1.0173
529 P A 0.6939
530 A A 0.9015
531 V A 2.0660
532 S A 1.4698
533 F A 2.0499
534 P A 0.1233
535 P A -0.5912
536 Q A -1.4868
537 H A -0.5688
538 L A 1.6348
539 L A 2.3334
540 P A 1.5046
541 V A 1.9960
542 S A 0.4389
543 P A -0.2659
544 T A -0.8757
545 Q A -1.3895
546 H A -0.7108
547 F A 1.3314
548 P A 0.7599
549 M A 0.0543
550 R A -2.6654
551 D A -2.9848
552 D A -2.2547
553 V A 0.4285
554 A A 0.0800
555 T A 0.0980
556 Q A -0.2049
557 F A 0.9234
558 G A 0.0047
559 Q A -0.2995
560 M A 0.9447
561 T A 0.5765
562 L A 1.0010
563 S A -0.5835
564 R A -2.2354
565 Q A -2.1757
566 S A -1.4807
567 S A -1.2055
568 G A -1.6625
569 E A -2.1841
570 T A -1.6031
571 P A -1.6017
572 E A -2.1564
573 P A -1.4819
574 P A -1.0153
575 S A -0.6977
576 G A -0.4308
577 P A 0.5934
578 V A 2.1344
579 Y A 1.9251
580 P A 0.6790
581 S A 0.1251
582 S A 0.5989
583 L A 1.8553
584 M A 1.3477
585 P A 0.0432
586 Q A -1.2053
587 P A -1.1780
588 A A -1.2205
589 Q A -1.8507
590 Q A -1.9457
591 P A -0.9713
592 S A 0.4190
593 Y A 2.4520
594 V A 3.3454
595 I A 3.1447
596 A A 1.3241
597 S A 0.0603
598 T A -0.6680
599 G A -1.3705
600 Q A -1.7668
601 Q A -1.2594
602 L A 0.5711
603 P A 0.2327
604 T A -0.2051
605 G A -0.4110
606 G A 0.1291
607 F A 1.4016
608 S A 0.4330
609 G A -0.3305
610 S A -0.7947
611 G A -0.8650
612 P A -0.2722
613 P A 0.4189
614 I A 1.4700
615 S A 0.0080
616 Q A -1.1358
617 Q A -0.6654
618 V A 1.4905
619 L A 1.6166
620 Q A -0.2542
621 P A -0.7068
622 P A -0.8270
623 P A -0.5880
624 S A -0.7719
625 P A -0.8882
626 Q A -0.9814
627 G A 0.1646
628 F A 1.8145
629 V A 1.5464
630 Q A -0.5568
631 Q A -1.3288
632 P A -1.1142
633 P A -1.0499
634 P A -0.7182
635 A A -0.5038
636 Q A -0.6104
637 M A 0.9356
638 P A 1.3157
639 V A 2.8832
640 Y A 3.1889
641 Y A 2.9204
642 Y A 2.2580
643 P A 0.5029
644 S A -0.3522
645 G A -0.7927
646 Q A -0.9339
647 Y A 0.4903
648 P A 0.0334
649 T A -0.1094
650 S A -0.4780
651 T A -0.5034
652 T A -0.8877
653 Q A -1.7538
654 Q A -1.6426
655 Y A -0.3735
656 R A -1.4971
657 P A -0.4399
658 M A 0.8149
659 A A 0.4751
660 P A 0.6830
661 V A 1.3614
662 Q A -0.0695
663 Y A 0.5002
664 N A -0.9774
665 A A -1.2293
666 Q A -2.4259
667 R A -2.7818
668 S A -2.2396
669 Q A -2.0756
670 Q A -1.4274
671 M A -0.2137
672 P A -0.5269
673 Q A -1.0233
674 A A -0.8460
675 A A -1.0905
676 Q A -1.7205
677 Q A -1.8416
678 A A -0.8236
679 G A -0.3071
680 Y A 0.4618
681 Q A -0.4007
682 P A 0.5199
683 V A 2.0836
684 L A 2.1389
685 S A 0.5389
686 G A -1.1780
687 Q A -2.1801
688 Q A -1.7259
689 G A -0.7237
690 F A 0.7407
691 Q A -0.1973
692 G A 0.4952
693 L A 1.9140
694 I A 2.7921
695 G A 1.6348
696 V A 1.1641
697 Q A -1.0538
698 Q A -1.6166
699 P A -1.4899
700 P A -1.2572
701 Q A -1.7234
702 S A -1.7197
703 Q A -1.8108
704 N A -0.5851
705 V A 1.5830
706 I A 1.7274
707 N A -0.7850
708 N A -2.3623
709 Q A -2.8004
710 Q A -2.3004
711 G A -1.3947
712 T A -0.3888
713 P A 0.1752
714 V A 1.2017
715 Q A 0.0331
716 S A 0.9593
717 V A 2.5569
718 M A 2.6755
719 V A 2.9353
720 S A 1.7124
721 Y A 1.7545
722 P A 0.7311
723 T A 0.5302
724 M A 1.1046
725 S A 0.3267
726 S A 0.4433
727 Y A 1.1078
728 Q A 0.2736
729 V A 1.6172
730 P A 0.8059
731 M A 0.8340
732 T A -0.1325
733 Q A -1.2784
734 G A -1.3072
735 S A -1.4128
736 Q A -1.3249
737 G A -0.4138
738 L A 0.6721
739 P A -0.3021
740 Q A -1.6111
741 Q A -1.6952
742 S A -0.7481
743 Y A 0.0657
744 Q A -1.1484
745 Q A -1.1641
746 P A 0.0614
747 I A 2.4614
748 M A 2.6546
749 L A 2.1213
750 P A -0.1346
751 N A -1.6644
752 Q A -1.9514
753 A A -1.3069
754 G A -1.3914
755 Q A -1.7179
756 G A -1.0457
757 S A -0.0026
758 L A 1.2244
759 P A 0.5792
760 A A 0.1367
761 T A -0.0958
762 G A 0.1535
763 M A 1.2453
764 P A 1.3978
765 V A 2.6575
766 Y A 2.4499
767 C A 1.5852
768 N A 0.2268
769 V A 1.3541
770 T A 0.3690
771 P A -0.0072
772 P A -0.4191
773 T A -0.6515
774 P A -1.2049
775 Q A -2.2644
776 N A -2.1981
777 N A -1.7850
778 L A 0.0291
779 R A -0.1548
780 L A 1.8598
781 I A 2.1487
782 G A 0.4492
783 P A -0.4155
784 H A -0.9159
785 C A 0.0132
786 P A -0.2411
787 S A -0.2802
788 S A -0.0094
789 T A 0.5507
790 V A 2.1200
791 P A 1.8537
792 V A 2.5682
793 M A 1.9653
794 S A 0.6903
795 A A 0.0330
796 S A -0.3215
797 C A -0.3454
798 R A -1.8203
799 T A -1.3892
800 N A -1.3205
801 C A 0.0518
802 A A 0.2290
803 S A 0.4599
804 M A 0.5969
805 S A -0.3585
806 N A -1.2420
807 A A -0.6048
808 G A -0.2417
809 W A 0.6555
810 Q A -0.0672
811 V A 1.0636
812 K A -0.0116
813 F A 1.3747
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Laboratory of Theory of Biopolymers 2018