Project name: FFKGHGF8

Status: done

Started: 2026-05-19 10:16:57
Settings
Chain sequence(s) A: FFKGHGF
C: FFKGHGF
B: FFKGHGF
E: FFKGHGF
D: FFKGHGF
G: FFKGHGF
F: FFKGHGF
H: FFKGHGF
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                                          (00:01:24)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:26)
Show buried residues

Minimal score value
-2.069
Maximal score value
2.6225
Average score
0.062
Total score value
3.4712

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 2.5589
2 F A 1.0259
3 K A -1.0739
4 G A -1.7733
5 H A -1.8327
6 G A -0.6856
7 F A 1.4182
1 F B 2.4396
2 F B 0.9565
3 K B -1.4192
4 G B -2.0097
5 H B -1.4919
6 G B -0.5277
7 F B 1.3791
1 F C 1.9414
2 F C -0.1548
3 K C -1.4794
4 G C -1.9510
5 H C -1.6119
6 G C -0.4882
7 F C 1.3015
1 F D 1.5656
2 F D 0.2517
3 K D -2.0690
4 G D -1.5435
5 H D -1.4432
6 G D -0.5738
7 F D 1.4175
1 F E 1.6212
2 F E 1.1635
3 K E -0.7381
4 G E -1.3285
5 H E -1.6347
6 G E -0.2951
7 F E 1.4737
1 F F 2.0317
2 F F 1.1174
3 K F -0.7489
4 G F -1.6199
5 H F -1.4579
6 G F -0.1677
7 F F 1.7646
1 F G 2.3739
2 F G 1.5945
3 K G -0.5804
4 G G -0.9813
5 H G -1.4697
6 G G -0.1278
7 F G 1.7994
1 F H 2.6225
2 F H 2.2232
3 K H 0.3106
4 G H -0.1773
5 H H -0.8426
6 G H -0.1991
7 F H 1.6169
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Laboratory of Theory of Biopolymers 2018