Project name: FKFEKGH4

Status: done

Started: 2026-02-13 10:42:42
Settings
Chain sequence(s) A: FKFEKGH
C: FKFEKGH
B: FKFEKGH
D: FKFEKGH
input PDB
Selected Chain(s) A,C,B,D
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                                          (00:09:10)
[INFO]       Main:     Simulation completed successfully.                                          (00:09:11)
Show buried residues

Minimal score value
-3.3718
Maximal score value
2.6672
Average score
-0.7403
Total score value
-20.7284

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 1.0460
2 K A -0.8158
3 F A -0.0188
4 E A -1.8824
5 K A -3.1023
6 G A 0.0000
7 H A -3.2132
1 F B 2.6672
2 K B 1.2292
3 F B 0.5285
4 E B -1.9877
5 K B -3.3718
6 G B -2.7126
7 H B -3.3394
1 F C 0.9948
2 K C -1.5368
3 F C -0.4600
4 E C -1.1275
5 K C 0.2813
6 G C -0.1527
7 H C -0.8747
1 F D 0.3273
2 K D -0.3562
3 F D 0.5965
4 E D 0.0000
5 K D -1.3281
6 G D 0.0000
7 H D -2.1192
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Laboratory of Theory of Biopolymers 2018