Project name: ef1aec89de3e011

Status: done

Started: 2026-02-23 15:25:50
Settings
Chain sequence(s) A: FKFKGHFKF
C: FKFKGHFKF
B: FKFKGHFKF
D: FKFKGHFKF
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]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:02:52)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:53)
Show buried residues

Minimal score value
-2.7916
Maximal score value
1.692
Average score
-0.6874
Total score value
-24.7458

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 1.5709
2 K A -1.0003
3 F A -0.6252
4 K A -2.4174
5 G A -1.3813
6 H A -1.2338
7 F A 0.0939
8 K A -0.8350
9 F A 1.2123
1 F B 1.5633
2 K B -1.1060
3 F B -1.0263
4 K B -2.7916
5 G B 0.0000
6 H B -2.0717
7 F B 0.0000
8 K B -1.3534
9 F B 0.3892
1 F C 1.6483
2 K C -0.7871
3 F C -0.4782
4 K C -2.2171
5 G C -1.3678
6 H C -1.6295
7 F C -0.6333
8 K C -0.9613
9 F C 1.2733
1 F D 1.6920
2 K D -0.9113
3 F D -1.1364
4 K D -2.7440
5 G D -1.7823
6 H D -2.0526
7 F D -0.9360
8 K D -1.2678
9 F D 0.5577
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Laboratory of Theory of Biopolymers 2018