Project name: FGGHKFG8

Status: done

Started: 2026-05-21 14:13:45
Settings
Chain sequence(s) A: FGGHKFG
C: FGGHKFG
B: FGGHKFG
E: FGGHKFG
D: FGGHKFG
G: FGGHKFG
F: FGGHKFG
H: FGGHKFG
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                                          (00:05:46)
[INFO]       Main:     Simulation completed successfully.                                          (00:05:48)
Show buried residues

Minimal score value
-3.2189
Maximal score value
5.6698
Average score
0.2628
Total score value
14.7177

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 F A 5.3935
2 G A 1.6113
3 G A 0.0000
4 H A -2.6288
5 K A -3.2151
6 F A -0.4207
7 G A -0.8217
1 F B 5.3355
2 G B 0.0000
3 G B 0.0000
4 H B -2.9419
5 K B -3.1240
6 F B -0.4518
7 G B -0.7383
1 F C 5.4243
2 G C 1.8005
3 G C -0.4203
4 H C -1.5389
5 K C -1.5581
6 F C 0.7852
7 G C -0.0868
1 F D 5.6698
2 G D 0.0000
3 G D -0.3370
4 H D -1.6112
5 K D -3.2189
6 F D -0.6647
7 G D 0.0000
1 F E 5.3780
2 G E 2.7918
3 G E 0.0000
4 H E -1.6211
5 K E -1.9307
6 F E -0.8751
7 G E -0.1258
1 F F 4.8179
2 G F 0.0000
3 G F 0.0000
4 H F -1.1831
5 K F -1.1515
6 F F 1.0693
7 G F 0.3107
1 F G 4.6437
2 G G 1.3318
3 G G -0.9206
4 H G -1.0672
5 K G -1.2888
6 F G 1.1421
7 G G 0.1030
1 F H 3.7512
2 G H 0.8671
3 G H -1.2573
4 H H -1.9905
5 K H -0.9054
6 F H 0.6424
7 G H -0.0561
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Laboratory of Theory of Biopolymers 2018