Project name: FEKGHFEF4

Status: done

Started: 2026-05-19 09:40:20
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                                          (00:00:52)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:53)
Show buried residues

Minimal score value
-2.8294
Maximal score value
0.8103
Average score
-1.2568
Total score value
-40.2164

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 0.7777
2 E A -1.6818
3 K A -2.4561
4 G A -2.1668
5 H A -2.8163
6 F A -1.4259
7 E A -1.5264
8 F A 0.4496
1 F B 0.6250
2 E B -1.9003
3 K B -2.8294
4 G B -2.0623
5 H B -2.5823
6 F B -1.2638
7 E B -1.2314
8 F B 0.7766
1 F C 0.6539
2 E C -1.7957
3 K C -2.6596
4 G C -2.0251
5 H C -2.3467
6 F C -1.1041
7 E C -0.9679
8 F C 0.8103
1 F D 0.8033
2 E D -1.5335
3 K D -2.0871
4 G D -1.8514
5 H D -2.6071
6 F D -1.2819
7 E D -1.4478
8 F D 0.5379
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Laboratory of Theory of Biopolymers 2018