Project name: GGHKGHK8

Status: done

Started: 2026-02-23 04:11:21
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Chain sequence(s) A: GGHKGHK
C: GGHKGHK
B: GGHKGHK
E: GGHKGHK
D: GGHKGHK
G: GGHKGHK
F: GGHKGHK
H: GGHKGHK
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]                                                (00:00:01)
[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                                          (00:08:08)
[INFO]       Main:     Simulation completed successfully.                                          (00:08:10)
Show buried residues

Minimal score value
-5.6678
Maximal score value
0.0
Average score
-3.2683
Total score value
-183.0232

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 -2.7917
2 G A 0.0000
3 H A -4.3037
4 K A -5.6591
5 G A 0.0000
6 H A -5.6678
7 K A -5.3515
1 G B -1.6080
2 G B -2.6222
3 H B -3.6971
4 K B -4.5700
5 G B 0.0000
6 H B -4.5973
7 K B -3.4268
1 G C -2.3092
2 G C -2.6080
3 H C -3.9854
4 K C -5.1243
5 G C -4.2848
6 H C -5.0417
7 K C -4.8277
1 G D -1.8668
2 G D -2.5007
3 H D -3.0554
4 K D -4.3093
5 G D 0.0000
6 H D -4.2141
7 K D -5.3258
1 G E -1.6050
2 G E -2.0884
3 H E -2.7918
4 K E -3.1826
5 G E -2.5592
6 H E -2.9554
7 K E -3.7221
1 G F 0.0000
2 G F -2.9607
3 H F -3.2311
4 K F -3.7028
5 G F -3.3144
6 H F -3.6299
7 K F -3.3109
1 G G -2.7838
2 G G -3.6785
3 H G -4.2057
4 K G -4.9260
5 G G -4.0028
6 H G -3.9023
7 K G -3.2972
1 G H -1.4954
2 G H -2.3347
3 H H -3.3234
4 K H -4.3317
5 G H -4.2896
6 H H -4.0655
7 K H -3.5839
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Laboratory of Theory of Biopolymers 2018