Project name: GGGHKGG8

Status: done

Started: 2026-02-23 06:28:54
Settings
Chain sequence(s) A: GGGHKGG
C: GGGHKGG
B: GGGHKGG
E: GGGHKGG
D: GGGHKGG
G: GGGHKGG
F: GGGHKGG
H: GGGHKGG
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                                          (00:02:10)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:12)
Show buried residues

Minimal score value
-5.1137
Maximal score value
0.0
Average score
-2.4075
Total score value
-134.8214

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 -1.4140
2 G A -1.6920
3 G A -1.5532
4 H A -2.7836
5 K A -2.3667
6 G A -2.5981
7 G A -1.2808
1 G B -1.5148
2 G B -1.9449
3 G B -3.0530
4 H B -4.5047
5 K B -4.6618
6 G B -3.3786
7 G B -2.5160
1 G C 0.0000
2 G C 0.0000
3 G C 0.0000
4 H C -4.5997
5 K C -5.1137
6 G C 0.0000
7 G C -2.7970
1 G D -1.6180
2 G D -1.7603
3 G D -2.8050
4 H D -3.5315
5 K D -4.5959
6 G D -3.1032
7 G D -2.6158
1 G E -1.7774
2 G E -1.7959
3 G E -2.0832
4 H E -3.1229
5 K E -3.6827
6 G E -2.8146
7 G E -2.2937
1 G F -1.7265
2 G F -1.9526
3 G F 0.0000
4 H F -3.1875
5 K F -3.5751
6 G F -2.2481
7 G F -1.5923
1 G G -1.5901
2 G G -1.7484
3 G G -2.8100
4 H G -3.4456
5 K G -3.9642
6 G G -2.6020
7 G G -1.9747
1 G H -1.7751
2 G H -2.0401
3 G H -2.2761
4 H H -3.1636
5 K H -3.0646
6 G H -2.8863
7 G H -1.8258
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Laboratory of Theory of Biopolymers 2018