Project name: GGKGHGG8

Status: done

Started: 2026-05-21 08:53:37
Settings
Chain sequence(s) A: GGKGHGG
C: GGKGHGG
B: GGKGHGG
E: GGKGHGG
D: GGKGHGG
G: GGKGHGG
F: GGKGHGG
H: GGKGHGG
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                                          (00:02:25)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:26)
Show buried residues

Minimal score value
-3.6073
Maximal score value
0.0
Average score
-2.1582
Total score value
-120.857

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 0.0000
2 G A -3.1163
3 K A -3.6073
4 G A -2.9934
5 H A 0.0000
6 G A -2.6785
7 G A -2.7387
1 G B 0.0000
2 G B -2.4374
3 K B -3.3039
4 G B -2.9969
5 H B -2.7319
6 G B -2.6294
7 G B -1.6901
1 G C -0.9883
2 G C -1.5981
3 K C -2.4492
4 G C -2.5662
5 H C -3.2364
6 G C 0.0000
7 G C 0.0000
1 G D -2.7711
2 G D -2.8525
3 K D -3.5625
4 G D 0.0000
5 H D -2.9714
6 G D -2.6190
7 G D -2.1159
1 G E -2.0154
2 G E -2.3739
3 K E -3.3178
4 G E -2.9852
5 H E -3.0973
6 G E 0.0000
7 G E -2.2537
1 G F -2.6797
2 G F 0.0000
3 K F -3.4015
4 G F -3.1606
5 H F -3.2517
6 G F -2.6031
7 G F -2.2433
1 G G -1.3043
2 G G -2.0911
3 K G -2.8042
4 G G -2.6807
5 H G -3.0829
6 G G -2.4666
7 G G 0.0000
1 G H -2.1368
2 G H -2.4267
3 K H -3.0535
4 G H -2.0721
5 H H -2.2933
6 G H -1.3647
7 G H -1.0425
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Laboratory of Theory of Biopolymers 2018