Project name: e40f9d87738ff59

Status: done

Started: 2026-02-12 09:21:39
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Chain sequence(s) A: GGGHKFF
C: GGGHKFF
B: GGGHKFF
E: GGGHKFF
D: GGGHKFF
G: GGGHKFF
F: GGGHKFF
H: GGGHKFF
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]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:11)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:13)
Show buried residues

Minimal score value
-2.0209
Maximal score value
3.5649
Average score
-0.5263
Total score value
-29.4718

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 -1.2788
2 G A -1.5604
3 G A -1.9596
4 H A -2.0209
5 K A -1.4223
6 F A 0.9511
7 F A 2.6792
1 G B -1.2691
2 G B -1.4715
3 G B -1.8128
4 H B -1.6600
5 K B -1.5960
6 F B 0.5909
7 F B 2.4633
1 G C -1.3961
2 G C -1.7864
3 G C -1.9455
4 H C -1.9476
5 K C -1.0555
6 F C 0.0000
7 F C 2.9388
1 G D -1.1001
2 G D -1.6881
3 G D -1.4724
4 H D -1.5806
5 K D -1.1444
6 F D 1.0835
7 F D 2.7118
1 G E -1.1533
2 G E -1.6872
3 G E -1.7852
4 H E -1.9491
5 K E -0.9028
6 F E 2.1432
7 F E 3.3115
1 G F -1.2781
2 G F -1.5739
3 G F -1.8060
4 H F -1.5303
5 K F -0.4896
6 F F 0.0000
7 F F 3.5649
1 G G -1.3364
2 G G -1.4802
3 G G -1.4692
4 H G -1.4051
5 K G -0.5584
6 F G 0.0000
7 F G 3.4344
1 G H -1.3223
2 G H -1.5674
3 G H -1.7334
4 H H -1.6840
5 K H -0.6969
6 F H 0.0000
7 F H 3.2325
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Laboratory of Theory of Biopolymers 2018