Project name: 4165ec796ad50d3

Status: done

Started: 2026-05-20 10:53:59
Settings
Chain sequence(s) A: FEKGHFEF
C: FEKGHFEF
B: FEKGHFEF
D: FEKGHFEF
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                                          (00:00:40)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:41)
Show buried residues

Minimal score value
-2.1932
Maximal score value
2.1783
Average score
-0.2443
Total score value
-7.8174

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 1.0610
2 E A -1.4202
3 K A -2.1932
4 G A -1.4834
5 H A -1.4768
6 F A -0.4300
7 E A -0.7314
8 F A 1.4149
1 F B 2.0158
2 E B 0.4729
3 K B -0.7254
4 G B 0.0000
5 H B -1.1074
6 F B -0.6942
7 E B -0.8987
8 F B 0.8411
1 F C 2.1783
2 E C 0.8464
3 K C -0.2710
4 G C 0.0000
5 H C -0.9374
6 F C -0.7626
7 E C -0.8510
8 F C 0.8899
1 F D 1.1162
2 E D -1.3507
3 K D -2.1192
4 G D -1.3777
5 H D -1.2323
6 F D 0.0370
7 E D -0.3002
8 F D 1.6719
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Laboratory of Theory of Biopolymers 2018