Project name: e2963fe143db11b

Status: done

Started: 2026-06-27 16:05:11
Settings
Chain sequence(s) A: GGGGSGGGGSGGGGS
C: GGGGSGGGGSGGGGS
B: GGGGSGGGGSGGGGS
E: GGGGSGGGGSGGGGS
D: GGGGSGGGGSGGGGS
G: GGGGSGGGGSGGGGS
F: GGGGSGGGGSGGGGS
I: GGGGSGGGGSGGGGS
H: GGGGSGGGGSGGGGS
K: GGGGSGGGGSGGGGS
J: GGGGSGGGGSGGGGS
L: GGGGSGGGGSGGGGS
input PDB
Selected Chain(s) A,C,B,E,D,G,F,I,H,K,J,L
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                                          (00:00:05)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:08)
Show buried residues

Minimal score value
-1.911
Maximal score value
0.0
Average score
-0.9608
Total score value
-172.95

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 -1.5861
2 G A -1.5660
3 G A -1.1408
4 G A -0.8497
5 S A -0.7016
6 G A -0.7824
7 G A -0.8399
8 G A -0.7791
9 G A -0.7008
10 S A -0.6311
11 G A -0.7003
12 G A -0.8126
13 G A 0.0000
14 G A -1.0195
15 S A -0.9172
1 G B -1.4686
2 G B -1.5698
3 G B 0.0000
4 G B -0.8948
5 S B 0.0000
6 G B -0.8597
7 G B -1.0917
8 G B 0.0000
9 G B -0.8773
10 S B 0.0000
11 G B -0.8197
12 G B -0.8796
13 G B 0.0000
14 G B 0.0000
15 S B -1.1845
1 G C -1.1587
2 G C -1.2452
3 G C -1.2753
4 G C -0.8108
5 S C -0.8617
6 G C -0.9229
7 G C -1.0370
8 G C -1.2191
9 G C -0.9189
10 S C -0.8255
11 G C -0.9401
12 G C -0.9395
13 G C -1.2974
14 G C -1.4741
15 S C -1.1029
1 G D -1.4160
2 G D -1.3268
3 G D -1.4260
4 G D 0.0000
5 S D -1.0564
6 G D -1.1165
7 G D -1.1842
8 G D -1.3352
9 G D -1.2397
10 S D -1.0764
11 G D -1.1712
12 G D 0.0000
13 G D -1.4917
14 G D -1.5798
15 S D -1.1745
1 G E -1.2600
2 G E -1.2447
3 G E -1.3738
4 G E -1.2336
5 S E -0.9302
6 G E -1.1629
7 G E -1.1214
8 G E -1.1949
9 G E -1.1750
10 S E -0.9106
11 G E -1.1785
12 G E -1.1060
13 G E -1.2501
14 G E -1.3868
15 S E -0.8851
1 G F -1.5830
2 G F -1.4592
3 G F -1.4845
4 G F 0.0000
5 S F -0.9193
6 G F 0.0000
7 G F -1.0616
8 G F -1.2461
9 G F 0.0000
10 S F -0.8984
11 G F -0.9496
12 G F 0.0000
13 G F -1.1603
14 G F 0.0000
15 S F -1.0933
1 G G -1.5259
2 G G -1.2345
3 G G -1.2486
4 G G 0.0000
5 S G -0.6143
6 G G -0.7107
7 G G -0.7415
8 G G -0.9555
9 G G 0.0000
10 S G -0.5741
11 G G -0.6892
12 G G 0.0000
13 G G -0.8989
14 G G -1.0850
15 S G -0.8767
1 G H -1.7572
2 G H -1.5378
3 G H -1.3000
4 G H 0.0000
5 S H -0.6308
6 G H 0.0000
7 G H -0.8359
8 G H -0.8401
9 G H 0.0000
10 S H -0.5708
11 G H -0.7470
12 G H 0.0000
13 G H -0.9001
14 G H -0.9985
15 S H -0.8651
1 G I -1.8533
2 G I -1.6824
3 G I -1.6076
4 G I 0.0000
5 S I -0.9554
6 G I -1.0734
7 G I -1.1064
8 G I -1.1842
9 G I 0.0000
10 S I -0.9200
11 G I -1.0878
12 G I -1.1580
13 G I -1.1927
14 G I 0.0000
15 S I -0.8601
1 G J -1.4995
2 G J -1.5708
3 G J -1.6418
4 G J -1.1250
5 S J -1.0089
6 G J -1.0307
7 G J -1.2112
8 G J -1.3218
9 G J -1.0801
10 S J -1.0598
11 G J -1.1520
12 G J -1.2023
13 G J -1.3505
14 G J -1.0440
15 S J -0.6972
1 G K -1.6118
2 G K -1.9110
3 G K -1.5609
4 G K -1.2462
5 S K -1.1025
6 G K -1.0756
7 G K -1.2962
8 G K -1.1397
9 G K -1.1663
10 S K -1.0811
11 G K -1.1273
12 G K -1.3311
13 G K -1.3232
14 G K -1.0826
15 S K -0.8207
1 G L -1.7523
2 G L -1.8373
3 G L -1.2859
4 G L -1.0597
5 S L -0.8941
6 G L -0.9825
7 G L -1.0666
8 G L -0.8712
9 G L -0.9572
10 S L 0.0000
11 G L -0.8774
12 G L -1.1516
13 G L 0.0000
14 G L -1.0481
15 S L -0.9096
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Laboratory of Theory of Biopolymers 2018