Project name: 20ae2d61b5e73a1

Status: done

Started: 2026-06-27 16:06:41
Settings
Chain sequence(s) A: EDEDEDEDEDEDGGKGHFG
C: EDEDEDEDEDEDGGKGHFG
B: EDEDEDEDEDEDGGKGHFG
E: EDEDEDEDEDEDGGKGHFG
D: EDEDEDEDEDEDGGKGHFG
G: EDEDEDEDEDEDGGKGHFG
F: EDEDEDEDEDEDGGKGHFG
I: EDEDEDEDEDEDGGKGHFG
H: EDEDEDEDEDEDGGKGHFG
K: EDEDEDEDEDEDGGKGHFG
J: EDEDEDEDEDEDGGKGHFG
M: EDEDEDEDEDEDGGKGHFG
L: EDEDEDEDEDEDGGKGHFG
O: EDEDEDEDEDEDGGKGHFG
N: EDEDEDEDEDEDGGKGHFG
Q: EDEDEDEDEDEDGGKGHFG
P: EDEDEDEDEDEDGGKGHFG
S: EDEDEDEDEDEDGGKGHFG
R: EDEDEDEDEDEDGGKGHFG
T: EDEDEDEDEDEDGGKGHFG
input PDB
Selected Chain(s) A,C,B,E,D,G,F,I,H,K,J,M,L,O,N,Q,P,S,R,T
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 all chain(s) selected           (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:12:11)
[INFO]       Main:     Simulation completed successfully.                                          (00:12:16)
Show buried residues
Minimal score value
-6.7396
Maximal score value
1.0733
Average score
-2.8668
Total score value
-1089.393
Download the table (csv)

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 E A -4.8173
2 D A -5.0886
3 E A -4.9746
4 D A -4.3589
5 E A -4.9146
6 D A 0.0000
7 E A -4.8932
8 D A 0.0000
9 E A -4.8876
10 D A 0.0000
11 E A -5.3108
12 D A -4.6094
13 G A -3.2126
14 G A 0.0000
15 K A -1.3751
16 G A 0.0000
17 H A 0.0000
18 F A 0.0000
19 G A -0.3486
1 E B -5.0319
2 D B -5.0701
3 E B -4.7269
4 D B -4.1417
5 E B -4.5571
6 D B 0.0000
7 E B -4.5715
8 D B 0.0000
9 E B -4.5602
10 D B 0.0000
11 E B -4.9845
12 D B -4.6293
13 G B -2.9235
14 G B 0.0000
15 K B -1.3209
16 G B 0.0000
17 H B 0.0000
18 F B 0.0000
19 G B -0.3132
1 E C -4.9143
2 D C -5.0827
3 E C -4.6336
4 D C -4.0175
5 E C -4.4173
6 D C 0.0000
7 E C -4.4801
8 D C 0.0000
9 E C -4.0251
10 D C 0.0000
11 E C -4.6889
12 D C -4.5604
13 G C -2.8864
14 G C 0.0000
15 K C -1.2343
16 G C 0.0000
17 H C 0.0000
18 F C 0.0000
19 G C -0.3479
1 E D -5.1222
2 D D -5.2513
3 E D -5.2038
4 D D -4.3353
5 E D -4.6338
6 D D 0.0000
7 E D -4.4003
8 D D 0.0000
9 E D -4.3399
10 D D 0.0000
11 E D -4.8325
12 D D -4.6294
13 G D -2.9690
14 G D 0.0000
15 K D -1.2579
16 G D 0.0000
17 H D 0.0000
18 F D 0.0000
19 G D -0.4575
1 E E -5.2485
2 D E -6.2356
3 E E -6.1857
4 D E -5.5804
5 E E -5.7134
6 D E 0.0000
7 E E -5.2393
8 D E 0.0000
9 E E -5.3908
10 D E 0.0000
11 E E -5.8283
12 D E -5.0452
13 G E -3.6378
14 G E 0.0000
15 K E -1.7602
16 G E 0.0000
17 H E 0.0000
18 F E 0.0000
19 G E -0.4273
1 E F -4.3510
2 D F -5.7692
3 E F -5.9481
4 D F -5.7787
5 E F -5.3789
6 D F -4.7083
7 E F -5.0041
8 D F -4.7396
9 E F -5.1801
10 D F -5.6698
11 E F -5.5204
12 D F -4.3274
13 G F -3.1276
14 G F -3.8049
15 K F -2.0467
16 G F -1.9330
17 H F -0.3574
18 F F 1.0733
19 G F -0.1294
1 E G -4.4782
2 D G -6.0211
3 E G -6.1124
4 D G -5.8486
5 E G -5.1877
6 D G -4.3457
7 E G -4.6295
8 D G -4.3100
9 E G -4.8909
10 D G -5.3053
11 E G -5.4219
12 D G -4.3393
13 G G -3.1167
14 G G -3.5532
15 K G -1.7463
16 G G -1.9843
17 H G -1.0671
18 F G 0.0000
19 G G -0.8254
1 E H -5.6014
2 D H -6.7090
3 E H -6.7396
4 D H -5.8101
5 E H -5.5259
6 D H 0.0000
7 E H -5.0903
8 D H 0.0000
9 E H -5.4907
10 D H 0.0000
11 E H -6.3418
12 D H -5.3674
13 G H -3.8483
14 G H 0.0000
15 K H -1.7180
16 G H 0.0000
17 H H 0.0000
18 F H 0.0000
19 G H -0.9267
1 E I -5.3294
2 D I -5.7612
3 E I -5.7228
4 D I -4.8056
5 E I -5.1582
6 D I 0.0000
7 E I -4.8326
8 D I 0.0000
9 E I -4.7576
10 D I 0.0000
11 E I -5.6819
12 D I -4.9676
13 G I -3.4836
14 G I 0.0000
15 K I -1.5000
16 G I 0.0000
17 H I 0.0000
18 F I 0.0000
19 G I -0.4730
1 E J -5.1291
2 D J -5.4930
3 E J -5.6944
4 D J -4.6588
5 E J -5.0670
6 D J 0.0000
7 E J -4.7424
8 D J 0.0000
9 E J -4.3716
10 D J 0.0000
11 E J -5.1229
12 D J -4.6671
13 G J -3.2500
14 G J 0.0000
15 K J -1.3329
16 G J 0.0000
17 H J 0.0000
18 F J 0.0000
19 G J -0.3462
1 E K -5.0152
2 D K -5.3206
3 E K -5.4216
4 D K -4.3778
5 E K -4.5784
6 D K 0.0000
7 E K -4.4510
8 D K 0.0000
9 E K -4.4176
10 D K 0.0000
11 E K -5.0338
12 D K -4.4174
13 G K -3.1136
14 G K 0.0000
15 K K -1.3392
16 G K 0.0000
17 H K 0.0000
18 F K 0.0000
19 G K -0.3213
1 E L -4.8991
2 D L -5.2766
3 E L -5.1190
4 D L -4.3293
5 E L -4.6648
6 D L 0.0000
7 E L -4.4571
8 D L 0.0000
9 E L -4.2560
10 D L 0.0000
11 E L -5.1199
12 D L -4.5750
13 G L -3.1553
14 G L 0.0000
15 K L -1.3296
16 G L 0.0000
17 H L 0.0000
18 F L 0.0000
19 G L -0.3090
1 E M -4.8594
2 D M -5.2326
3 E M -5.3125
4 D M -4.4065
5 E M -4.7602
6 D M 0.0000
7 E M -4.2766
8 D M 0.0000
9 E M -4.6572
10 D M 0.0000
11 E M -5.5811
12 D M -4.6910
13 G M -3.2049
14 G M 0.0000
15 K M -1.4284
16 G M 0.0000
17 H M 0.0000
18 F M 0.0000
19 G M -0.3426
1 E N -5.1840
2 D N -5.7851
3 E N -5.9829
4 D N -5.4787
5 E N -5.6505
6 D N 0.0000
7 E N -5.1157
8 D N 0.0000
9 E N -5.2189
10 D N 0.0000
11 E N -5.9942
12 D N -5.0213
13 G N -3.4144
14 G N 0.0000
15 K N -1.6167
16 G N 0.0000
17 H N 0.0000
18 F N 0.0000
19 G N -0.3364
1 E O -4.6780
2 D O -5.2587
3 E O -5.8474
4 D O -5.5948
5 E O -5.3416
6 D O -4.2668
7 E O -4.6695
8 D O -3.7266
9 E O -4.3304
10 D O -4.2057
11 E O -4.7509
12 D O -4.0986
13 G O -3.0516
14 G O -2.8001
15 K O -1.6492
16 G O 0.0000
17 H O -0.9608
18 F O 0.0555
19 G O -0.8343
1 E P -4.6245
2 D P -5.2281
3 E P -5.8613
4 D P -5.6642
5 E P -5.3912
6 D P -4.4365
7 E P -4.7431
8 D P -3.8944
9 E P -4.5378
10 D P -4.3904
11 E P -4.8440
12 D P -4.1728
13 G P -3.4412
14 G P -3.0714
15 K P -2.4243
16 G P -2.2334
17 H P -0.8098
18 F P 0.9752
19 G P -0.2981
1 E Q -5.1463
2 D Q -5.7385
3 E Q -5.9850
4 D Q -5.5982
5 E Q -5.7754
6 D Q 0.0000
7 E Q -5.2807
8 D Q 0.0000
9 E Q -5.2455
10 D Q 0.0000
11 E Q -5.9830
12 D Q -5.0098
13 G Q -3.9443
14 G Q 0.0000
15 K Q -2.0376
16 G Q 0.0000
17 H Q 0.0000
18 F Q 0.0000
19 G Q -0.3477
1 E R -4.8407
2 D R -5.1778
3 E R -5.3466
4 D R -4.4565
5 E R -4.7868
6 D R 0.0000
7 E R -4.6762
8 D R 0.0000
9 E R -4.4858
10 D R 0.0000
11 E R -5.2355
12 D R -4.7474
13 G R -3.7115
14 G R 0.0000
15 K R -1.6234
16 G R 0.0000
17 H R 0.0000
18 F R 0.0000
19 G R -0.4170
1 E S -4.7935
2 D S -5.1476
3 E S -4.9184
4 D S -4.2653
5 E S -4.7107
6 D S 0.0000
7 E S -4.7346
8 D S 0.0000
9 E S -4.3638
10 D S 0.0000
11 E S -5.2095
12 D S -4.7848
13 G S -3.5281
14 G S 0.0000
15 K S -1.5729
16 G S 0.0000
17 H S 0.0000
18 F S 0.0000
19 G S -0.3603
1 E T -4.9347
2 D T -5.1353
3 E T -4.8282
4 D T -4.3052
5 E T -4.8756
6 D T 0.0000
7 E T -4.9122
8 D T 0.0000
9 E T -4.7677
10 D T 0.0000
11 E T -5.5874
12 D T -4.7730
13 G T -3.4635
14 G T 0.0000
15 K T -1.4891
16 G T 0.0000
17 H T 0.0000
18 F T 0.0000
19 G T -0.3446
Download PDB file
View in 3Dmol
Play the video
Laboratory of Theory of Biopolymers 2018