Project name: 52814e00bf8cf4

Status: done

Started: 2026-04-12 13:10:43
Settings
Chain sequence(s) A: FTGHKTF
C: FTGHKTF
B: FTGHKTF
D: FTGHKTF
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]                                                (00:00:00)
[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                                          (00:00:31)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:32)
Show buried residues

Minimal score value
-2.1624
Maximal score value
3.1542
Average score
0.3302
Total score value
9.2443

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 2.0579
2 T A 0.7121
3 G A -0.3449
4 H A -1.4962
5 K A -0.7568
6 T A 0.6672
7 F A 2.5655
1 F B 1.7855
2 T B 0.6416
3 G B -0.3847
4 H B -1.4822
5 K B -0.5764
6 T B 1.0376
7 F B 3.1542
1 F C 1.7545
2 T C 0.6287
3 G C -0.7454
4 H C -2.0861
5 K C -0.9494
6 T C 0.6250
7 F C 2.7017
1 F D 2.0362
2 T D 0.4530
3 G D -0.8860
4 H D -2.1624
5 K D -1.9458
6 T D 0.0129
7 F D 2.2270
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Laboratory of Theory of Biopolymers 2018