Project name: 1e22d69b01a231f

Status: done

Started: 2026-06-27 16:05:03
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Chain sequence(s) A: GGGGSGGGGSGGGGS
C: GGGGSGGGGSGGGGS
B: GGGGSGGGGSGGGGS
E: GGGGSGGGGSGGGGS
D: GGGGSGGGGSGGGGS
G: GGGGSGGGGSGGGGS
F: GGGGSGGGGSGGGGS
H: GGGGSGGGGSGGGGS
input PDB
Selected Chain(s) A,C,B,E,D,G,F,H
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                                          (00:00:04)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:06)
Show buried residues

Minimal score value
-1.7047
Maximal score value
0.0
Average score
-1.0794
Total score value
-129.5287

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 G A -1.1776
2 G A -1.3872
3 G A -1.3162
4 G A -0.9862
5 S A -0.8925
6 G A -0.9581
7 G A -1.1590
8 G A -1.2397
9 G A -1.0501
10 S A -0.9585
11 G A -0.9588
12 G A -1.0398
13 G A -1.3731
14 G A -1.4207
15 S A -1.1084
1 G B -1.1940
2 G B -1.3793
3 G B -1.3545
4 G B -1.0288
5 S B -0.9224
6 G B -0.9408
7 G B -1.1167
8 G B -1.2707
9 G B -1.0486
10 S B -0.9332
11 G B -0.9455
12 G B -0.9896
13 G B -1.2523
14 G B -1.3530
15 S B -0.9891
1 G C -1.4386
2 G C -1.4354
3 G C -1.4342
4 G C 0.0000
5 S C -0.8684
6 G C 0.0000
7 G C -1.0411
8 G C -1.1275
9 G C 0.0000
10 S C -0.8896
11 G C -0.9400
12 G C 0.0000
13 G C -1.2370
14 G C 0.0000
15 S C -1.1717
1 G D -1.4577
2 G D -1.4430
3 G D -1.5332
4 G D 0.0000
5 S D -0.8637
6 G D -0.9563
7 G D -1.0344
8 G D -1.1918
9 G D 0.0000
10 S D -0.8965
11 G D -1.0325
12 G D 0.0000
13 G D -1.4123
14 G D -1.5471
15 S D -1.2858
1 G E -1.4452
2 G E -1.4648
3 G E -1.6258
4 G E -1.3045
5 S E -1.0617
6 G E -1.1776
7 G E -1.1103
8 G E -1.2998
9 G E -1.3169
10 S E -1.0952
11 G E -1.3109
12 G E -1.2883
13 G E -1.4771
14 G E -1.6668
15 S E -1.1297
1 G F -1.5113
2 G F -1.4867
3 G F -1.7047
4 G F -1.3566
5 S F -1.0766
6 G F -1.2283
7 G F -1.1321
8 G F -1.2560
9 G F -1.3289
10 S F -1.1213
11 G F -1.2827
12 G F -1.2806
13 G F -1.4252
14 G F -1.5547
15 S F -1.0704
1 G G -1.4866
2 G G -1.4685
3 G G -1.5276
4 G G 0.0000
5 S G -0.8746
6 G G 0.0000
7 G G -1.0666
8 G G -1.2120
9 G G 0.0000
10 S G -1.0169
11 G G -1.0809
12 G G -1.1526
13 G G -1.4558
14 G G -1.5642
15 S G -1.2632
1 G H -1.3733
2 G H -1.3615
3 G H -1.3960
4 G H 0.0000
5 S H -0.7802
6 G H -0.9241
7 G H -1.0116
8 G H -1.1879
9 G H 0.0000
10 S H -0.8394
11 G H -0.9420
12 G H -0.9790
13 G H -1.2309
14 G H -1.5264
15 S H -1.2340
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Laboratory of Theory of Biopolymers 2018