Project name: 6deec67fea2a8db

Status: done

Started: 2026-02-12 09:23:00
Settings
Chain sequence(s) A: GGGHKFF
C: GGGHKFF
B: GGGHKFF
E: GGGHKFF
D: GGGHKFF
G: GGGHKFF
F: GGGHKFF
I: GGGHKFF
H: GGGHKFF
K: GGGHKFF
J: GGGHKFF
L: GGGHKFF
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]                                                (00:00:01)
[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                                          (00:02:00)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:03)
Show buried residues

Minimal score value
-1.851
Maximal score value
3.6496
Average score
-0.3451
Total score value
-28.9874

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 -1.0864
2 G A -1.0843
3 G A -1.2613
4 H A -1.2029
5 K A -0.6638
6 F A 0.0000
7 F A 3.1352
1 G B -1.1795
2 G B -1.2856
3 G B -1.6831
4 H B -1.4601
5 K B -0.6107
6 F B 0.0000
7 F B 3.2111
1 G C -1.0904
2 G C -1.2623
3 G C -1.8510
4 H C -1.6569
5 K C -0.8563
6 F C 2.1177
7 F C 3.1866
1 G D -1.1520
2 G D -1.1840
3 G D -1.6000
4 H D -1.3945
5 K D -1.3647
6 F D 0.5693
7 F D 2.4445
1 G E -1.2547
2 G E -1.2427
3 G E -1.5410
4 H E -1.5063
5 K E -0.7428
6 F E 0.0000
7 F E 2.9080
1 G F -1.2426
2 G F -1.2081
3 G F -1.2740
4 H F -1.1817
5 K F -0.7964
6 F F 0.0000
7 F F 3.1615
1 G G -1.2679
2 G G -1.2545
3 G G -1.5243
4 H G -1.4503
5 K G -0.7566
6 F G 0.0000
7 F G 2.6993
1 G H -1.0294
2 G H -1.2999
3 G H -1.4682
4 H H -1.5344
5 K H -1.2570
6 F H 0.9172
7 F H 2.5181
1 G I -0.9774
2 G I -1.4564
3 G I -1.6657
4 H I -1.5809
5 K I -0.2295
6 F I 2.4799
7 F I 3.4813
1 G J -1.2040
2 G J -1.3464
3 G J -1.6135
4 H J -1.2873
5 K J -0.2334
6 F J 0.0000
7 F J 3.6496
1 G K -1.1249
2 G K -1.1395
3 G K -1.2566
4 H K -1.1886
5 K K -0.5513
6 F K 0.0000
7 F K 3.2687
1 G L -1.0871
2 G L -1.0815
3 G L -1.2126
4 H L -1.1293
5 K L -0.5292
6 F L 0.0000
7 F L 2.9223
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Laboratory of Theory of Biopolymers 2018