Project name: 18a79cd194493ff

Status: done

Started: 2026-03-07 14:47:17
Settings
Chain sequence(s) A: EDTYYLQVRGRENFEILMKLKESLELMELVPQPLVDSYRQQQ
C: DTYYLQVRGRENFEILMKLKESLELMELVPQPLVDSYRQQQQ
B: EDTYYLQVRGRENFEILMKLKESLELMELVPQPLVDSYRQQQQ
E: EDTYYLQVRGRENFEILMKLKESLELMELVPQPLVDSYRQQQ
D: DTYYLQVRGRENFEILMKLKESLELMELVPQPLVDSYRQQQQLLQRP
G: DTYYLQVRGRENFEILMKLKESLELMELVPQPLVDSYRQQQQL
F: TYYLQVRGRENFEILMKLKESLELMELVPQPLVDSYRQQQQL
I: EDTYYLQVRGRENFEILMKLKESLELMELVPQPLVDSYRQQQQL
H: TYYLQVRGRENFEILMKLKESLELMELVPQPLVDSYRQQQQLLQR
K: DTYYLQVRGRENFEILMKLKESLELMELVPQPLVDSYRQQQQ
J: TYYLQVRGRENFEILMKLKESLELMELVPQPLVDSYRQQQQLLQR
M: DTYYLQVRGRENFEILMKLKESLELMELV
L: DTYYLQVRGRENFEILMKLKESLELMELVPQPLVDSYRQQQQLLQR
O: DTYYLQVRGRENFEILMKLKESLELMELVPQPLVDSYRQQQ
N: TYYLQVRGRENFEILMKLKESLELMELVPQPLVDSYRQQQQL
P: YLQVRGRENFEILMKLKESLELMELVPQPLVDSYRQQQQLLQR
input PDB
Selected Chain(s) A,C,B,E,D,G,F,I,H,K,J,M,L,O,N,P
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 all 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                                          (00:25:39)
[INFO]       Main:     Simulation completed successfully.                                          (00:25:51)
Show buried residues

Minimal score value
-3.7776
Maximal score value
2.0235
Average score
-1.0036
Total score value
-680.431

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
352 E A -3.0118
353 D A -3.0442
354 T A -1.8740
355 Y A -1.4061
356 Y A 0.0205
357 L A 0.0000
358 Q A 0.1718
359 V A 0.0000
360 R A -1.1402
361 G A -1.7182
362 R A -1.7658
363 E A -2.3690
364 N A -1.2885
365 F A -0.7016
366 E A -1.3303
367 I A 0.0000
368 L A 0.0000
369 M A -0.3485
370 K A -0.6167
371 L A 0.0000
372 K A 0.0000
373 E A -0.3848
374 S A 0.0000
375 L A 0.0000
376 E A 0.0000
377 L A 0.0000
378 M A -0.8834
379 E A -1.6973
380 L A -0.3357
381 V A 0.0000
382 P A -1.0904
383 Q A -1.9120
384 P A -1.4399
385 L A -0.8887
386 V A 0.0000
387 D A -3.2691
388 S A -2.3792
389 Y A -2.5156
390 R A -3.6932
391 Q A -3.4873
392 Q A -3.1169
393 Q A -3.0518
352 E B -2.8646
353 D B -2.0694
354 T B -0.9276
355 Y B 0.1535
356 Y B 1.1677
357 L B 0.0000
358 Q B -0.8346
359 V B 0.0000
360 R B -2.4169
361 G B 0.0000
362 R B -2.8031
363 E B -2.7486
364 N B -1.8629
365 F B 0.0000
366 E B -2.3970
367 I B -1.3642
368 L B 0.0000
369 M B -0.8879
370 K B -1.0306
371 L B 0.0000
372 K B 0.0000
373 E B -0.4969
374 S B 0.0000
375 L B 0.0000
376 E B 0.0000
377 L B 0.0000
378 M B -0.5091
379 E B -1.5232
380 L B -0.0500
381 V B 0.0000
382 P B -0.8810
383 Q B -1.6947
384 P B -1.2571
385 L B -0.6327
386 V B -1.3408
387 D B -2.7728
388 S B -1.9958
389 Y B 0.0000
390 R B -3.3002
391 Q B -3.3314
392 Q B -2.8915
393 Q B -2.4310
394 Q B -2.2361
353 D C -2.6422
354 T C -1.4949
355 Y C -0.5141
356 Y C 1.1992
357 L C 0.0000
358 Q C 0.1087
359 V C 0.0000
360 R C -2.2179
361 G C -2.6958
362 R C -3.2816
363 E C -3.1329
364 N C -2.0929
365 F C -1.9180
366 E C -2.3662
367 I C -1.3218
368 L C 0.0000
369 M C -0.4800
370 K C -0.8117
371 L C 0.0000
372 K C 0.0000
373 E C 0.0000
374 S C 0.0000
375 L C 0.0000
376 E C 0.0000
377 L C 0.0000
378 M C -0.8611
379 E C -1.6958
380 L C -0.3889
381 V C 0.0000
382 P C -0.7395
383 Q C -1.2294
384 P C -0.4245
385 L C 0.2370
386 V C 0.0000
387 D C -0.6181
388 S C -0.6783
389 Y C -0.9340
390 R C -1.3474
391 Q C -1.9825
392 Q C -2.1499
393 Q C -2.0705
394 Q C -2.1309
353 D D -2.4279
354 T D -1.3428
355 Y D -0.3478
356 Y D 1.2905
357 L D 0.0000
358 Q D -0.1598
359 V D 0.0000
360 R D -2.4077
361 G D -2.5832
362 R D -2.9575
363 E D -2.8635
364 N D -1.7832
365 F D -1.8031
366 E D -2.1708
367 I D 0.0000
368 L D 0.0000
369 M D -0.5581
370 K D -0.7385
371 L D 0.0000
372 K D 0.0000
373 E D 0.0000
374 S D 0.0000
375 L D 0.0000
376 E D -0.7199
377 L D 0.0000
378 M D -0.6377
379 E D -1.3358
380 L D -0.0223
381 V D 0.0000
382 P D -0.9147
383 Q D -1.8499
384 P D -1.4536
385 L D -0.7605
386 V D 0.0000
387 D D -2.9136
388 S D -2.0427
389 Y D -1.9035
390 R D -2.7061
391 Q D -2.6510
392 Q D -1.9271
393 Q D 0.0000
394 Q D -1.7235
395 L D 0.1855
396 L D 0.1746
397 Q D 0.0000
398 R D -1.7660
399 P D -1.2683
352 E E -3.0948
353 D E -3.1334
354 T E -1.9678
355 Y E 0.0000
356 Y E -0.1446
357 L E 0.0000
358 Q E 0.3704
359 V E 0.0000
360 R E -0.9778
361 G E -1.4787
362 R E -1.6111
363 E E -1.9806
364 N E -0.9793
365 F E -0.4388
366 E E -1.1818
367 I E -0.6914
368 L E 0.0000
369 M E -0.1831
370 K E -0.2883
371 L E 0.0000
372 K E 0.0000
373 E E -0.3263
374 S E 0.0000
375 L E 0.0000
376 E E 0.0000
377 L E 0.0000
378 M E -0.8143
379 E E -1.6146
380 L E -0.1596
381 V E 0.0000
382 P E -0.9085
383 Q E -1.7421
384 P E -1.2795
385 L E -0.6304
386 V E 0.0000
387 D E -2.7935
388 S E -2.0669
389 Y E 0.0000
390 R E -2.9588
391 Q E -3.0115
392 Q E -2.7560
393 Q E -2.3964
354 T F -0.4249
355 Y F 0.5406
356 Y F 1.1678
357 L F 0.0000
358 Q F -0.9161
359 V F 0.0000
360 R F -2.3873
361 G F -2.8026
362 R F -3.2344
363 E F -2.8724
364 N F -1.8464
365 F F 0.0000
366 E F -2.1349
367 I F -1.1935
368 L F 0.0000
369 M F -0.6709
370 K F -0.7673
371 L F 0.0000
372 K F 0.0000
373 E F 0.0000
374 S F 0.0000
375 L F 0.0000
376 E F 0.0000
377 L F 0.0000
378 M F -0.5505
379 E F -1.2174
380 L F -0.5339
381 V F 0.0000
382 P F 0.0000
383 Q F -2.0980
384 P F -1.4901
385 L F -0.6976
386 V F 0.0000
387 D F -2.7926
388 S F -2.0334
389 Y F 0.0000
390 R F -2.6601
391 Q F -2.6133
392 Q F -2.4017
393 Q F -2.3015
394 Q F -1.7000
395 L F -0.0074
353 D G -2.7046
354 T G -1.4175
355 Y G -0.4449
356 Y G 1.2328
357 L G 0.0000
358 Q G -0.0478
359 V G 0.0000
360 R G -2.3570
361 G G -2.7422
362 R G -3.5236
363 E G -3.5192
364 N G -2.3487
365 F G -2.0540
366 E G -2.7276
367 I G -1.4394
368 L G 0.0000
369 M G -0.8792
370 K G -0.8409
371 L G 0.0000
372 K G 0.0000
373 E G 0.0000
374 S G 0.0000
375 L G 0.0000
376 E G 0.0000
377 L G 0.0000
378 M G -0.6156
379 E G -1.5239
380 L G -0.1004
381 V G 0.0000
382 P G -0.7188
383 Q G -1.4614
384 P G -0.8313
385 L G -0.0216
386 V G -0.9639
387 D G -1.6738
388 S G -1.3236
389 Y G -1.2435
390 R G -1.8602
391 Q G -2.2903
392 Q G -1.7941
393 Q G -1.6329
394 Q G -0.9189
395 L G 0.2538
354 T H -0.8265
355 Y H -0.2178
356 Y H 1.2279
357 L H 0.0000
358 Q H -0.1339
359 V H 0.0000
360 R H -2.4747
361 G H 0.0000
362 R H -2.7186
363 E H -2.0423
364 N H -1.3810
365 F H -1.0102
366 E H -1.5486
367 I H -0.7594
368 L H 0.0000
369 M H -0.3386
370 K H -0.7379
371 L H 0.0000
372 K H 0.0000
373 E H -0.4502
374 S H 0.0000
375 L H 0.0000
376 E H 0.0000
377 L H 0.0000
378 M H -0.7876
379 E H -1.6316
380 L H -0.2817
381 V H 0.0000
382 P H -0.7924
383 Q H -1.7402
384 P H -1.0555
385 L H 0.0000
386 V H 0.0000
387 D H -2.1480
388 S H -1.8858
389 Y H -1.6848
390 R H -2.3458
391 Q H -2.4144
392 Q H -1.7696
393 Q H 0.0000
394 Q H -1.6797
395 L H 0.1875
396 L H 0.0687
397 Q H 0.0000
398 R H -1.7023
352 E I -3.0469
353 D I -2.7172
354 T I -1.6204
355 Y I -1.3315
356 Y I 0.0000
357 L I 0.0000
358 Q I 0.0822
359 V I 0.0000
360 R I -1.3641
361 G I -2.0456
362 R I -3.1573
363 E I -3.3433
364 N I 0.0000
365 F I -1.8098
366 E I -2.6780
367 I I -1.4853
368 L I 0.0000
369 M I -0.8342
370 K I -0.7863
371 L I 0.0000
372 K I 0.0000
373 E I 0.0000
374 S I 0.0000
375 L I 0.0000
376 E I 0.0000
377 L I 0.0000
378 M I -0.6310
379 E I -1.6244
380 L I -0.2820
381 V I 0.0000
382 P I -0.8241
383 Q I -1.6580
384 P I -1.0357
385 L I -0.1396
386 V I -1.0527
387 D I -2.3978
388 S I -1.6632
389 Y I -1.5792
390 R I -2.1019
391 Q I -2.3097
392 Q I -2.1755
393 Q I -1.9310
394 Q I -1.4806
395 L I 0.1399
354 T J -0.2376
355 Y J 0.3567
356 Y J 0.2745
357 L J 0.0000
358 Q J -0.6520
359 V J 0.0000
360 R J -2.3176
361 G J -2.9684
362 R J -3.4297
363 E J -3.4633
364 N J -2.1191
365 F J -2.1460
366 E J -2.6829
367 I J -1.4483
368 L J 0.0000
369 M J -0.8392
370 K J -0.7540
371 L J 0.0000
372 K J 0.0000
373 E J 0.0000
374 S J 0.0000
375 L J 0.0000
376 E J 0.0000
377 L J 0.0000
378 M J -0.7319
379 E J -1.4636
380 L J 0.1507
381 V J 0.0000
382 P J -0.9143
383 Q J -1.8120
384 P J -1.3533
385 L J -0.6680
386 V J 0.0000
387 D J -2.8515
388 S J -1.8903
389 Y J -1.8051
390 R J -2.5084
391 Q J -2.5157
392 Q J -1.6952
393 Q J 0.0000
394 Q J -1.5160
395 L J 0.3335
396 L J 0.1983
397 Q J 0.0000
398 R J -1.6329
353 D K -2.4541
354 T K -1.6833
355 Y K -1.4543
356 Y K -0.0394
357 L K 0.0000
358 Q K 0.0718
359 V K 0.0000
360 R K -1.1843
361 G K -1.6453
362 R K -1.6530
363 E K -1.6804
364 N K 0.0000
365 F K -0.7777
366 E K -1.6960
367 I K -0.8279
368 L K 0.0000
369 M K -0.6329
370 K K -0.8055
371 L K 0.0000
372 K K 0.0000
373 E K -0.4468
374 S K 0.0000
375 L K 0.0000
376 E K 0.0000
377 L K 0.0000
378 M K -0.5280
379 E K -1.2153
380 L K 0.0645
381 V K 0.0000
382 P K -0.8811
383 Q K -1.7947
384 P K -1.3517
385 L K -0.5566
386 V K 0.0000
387 D K -3.0677
388 S K -2.2204
389 Y K 0.0000
390 R K -3.2858
391 Q K -3.5020
392 Q K -3.1292
393 Q K -2.7692
394 Q K -2.5243
353 D L -2.1052
354 T L -1.0088
355 Y L 0.0000
356 Y L 0.9215
357 L L 0.0000
358 Q L -0.8659
359 V L 0.0000
360 R L -2.2045
361 G L -2.6961
362 R L -3.7776
363 E L -3.3726
364 N L 0.0000
365 F L 0.0000
366 E L -2.9202
367 I L -1.5864
368 L L 0.0000
369 M L -0.9681
370 K L -1.1244
371 L L 0.0000
372 K L 0.0000
373 E L -0.5522
374 S L 0.0000
375 L L 0.0000
376 E L 0.0000
377 L L 0.0000
378 M L 0.0000
379 E L -1.5648
380 L L -0.0941
381 V L 0.0000
382 P L -0.7046
383 Q L -1.4150
384 P L -0.9210
385 L L -0.2678
386 V L 0.0000
387 D L -2.0894
388 S L -1.5320
389 Y L 0.0000
390 R L -1.9505
391 Q L -2.4755
392 Q L -2.2544
393 Q L -1.7978
394 Q L -2.0973
395 L L -0.8460
396 L L -0.4653
397 Q L 0.0000
398 R L -2.1435
353 D M -2.8604
354 T M -1.9271
355 Y M -1.5432
356 Y M -0.2794
357 L M 0.0000
358 Q M 0.1693
359 V M 0.0000
360 R M -1.4551
361 G M -1.5328
362 R M -1.9163
363 E M -2.2933
364 N M 0.0000
365 F M 0.0000
366 E M -1.1590
367 I M -0.5100
368 L M 0.0000
369 M M -0.4550
370 K M -0.2843
371 L M 0.0000
372 K M 0.0000
373 E M 0.0000
374 S M 0.0000
375 L M 0.0000
376 E M 0.0000
377 L M 0.0000
378 M M 0.4361
379 E M -0.3857
380 L M 1.2802
381 V M 2.0235
354 T N -0.2206
355 Y N 0.4949
356 Y N 0.9808
357 L N 0.0000
358 Q N -1.0454
359 V N 0.0000
360 R N -2.7236
361 G N -2.9184
362 R N -3.6983
363 E N -3.3992
364 N N -2.2099
365 F N 0.0000
366 E N -2.1031
367 I N 0.0000
368 L N 0.0000
369 M N -0.9034
370 K N -1.3399
371 L N 0.0000
372 K N 0.0000
373 E N -0.7385
374 S N 0.0000
375 L N 0.0000
376 E N 0.0000
377 L N 0.0000
378 M N -0.8345
379 E N -1.5952
380 L N -0.1917
381 V N 0.0000
382 P N -0.9258
383 Q N -1.8274
384 P N -1.3230
385 L N -0.6741
386 V N 0.0000
387 D N -2.8409
388 S N -2.0633
389 Y N 0.0000
390 R N -2.6110
391 Q N -2.8027
392 Q N -2.5351
393 Q N -2.3580
394 Q N -1.7379
395 L N 0.0063
353 D O -2.3950
354 T O -1.6150
355 Y O -0.4779
356 Y O 0.9145
357 L O 0.0000
358 Q O -0.4002
359 V O 0.0000
360 R O -2.3949
361 G O -2.7492
362 R O -3.6690
363 E O -3.5546
364 N O -2.6003
365 F O 0.0000
366 E O -3.0012
367 I O -2.0850
368 L O 0.0000
369 M O -1.6856
370 K O -1.9959
371 L O 0.0000
372 K O -1.9260
373 E O -1.9514
374 S O 0.0000
375 L O 0.0000
376 E O -1.0515
377 L O 0.2415
378 M O 0.1619
379 E O -0.7081
380 L O 0.9254
381 V O 0.0000
382 P O -0.2822
383 Q O -1.3141
384 P O -0.9184
385 L O -0.1873
386 V O -0.6399
387 D O -1.4224
388 S O -1.6181
389 Y O -1.4267
390 R O -1.9240
391 Q O -2.5132
392 Q O -2.5850
393 Q O -2.4925
356 Y P 0.8902
357 L P 0.5441
358 Q P -0.5793
359 V P 0.0000
360 R P -2.9130
361 G P -3.0042
362 R P -3.6239
363 E P -3.1881
364 N P -2.1304
365 F P -1.8959
366 E P -1.6825
367 I P -1.0050
368 L P 0.0000
369 M P -0.5497
370 K P -0.6630
371 L P 0.0000
372 K P 0.0000
373 E P -0.4059
374 S P 0.0000
375 L P 0.0000
376 E P 0.0000
377 L P 0.0000
378 M P -0.8537
379 E P -1.6384
380 L P -0.2746
381 V P 0.0000
382 P P -0.9671
383 Q P -1.8750
384 P P -1.4206
385 L P -0.8254
386 V P 0.0000
387 D P -2.9473
388 S P -2.1016
389 Y P 0.0000
390 R P -2.9131
391 Q P -2.7233
392 Q P -1.9394
393 Q P 0.0000
394 Q P -1.6668
395 L P 0.2244
396 L P 0.1255
397 Q P 0.0000
398 R P -1.6661
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Laboratory of Theory of Biopolymers 2018