Project name: FEFEFEGKGH4

Status: done

Started: 2026-02-10 01:24:54
Settings
Chain sequence(s) A: FEFEFEGKGH
C: FEFEFEGKGH
B: FEFEFEGKGH
D: FEFEFEGKGH
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                                          (00:01:36)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:37)
Show buried residues

Minimal score value
-4.4746
Maximal score value
0.5556
Average score
-2.3442
Total score value
-93.769

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 -0.2914
2 E A -2.4499
3 F A -3.3803
4 E A -3.6753
5 F A -4.3332
6 E A -3.3525
7 G A -3.2480
8 K A -2.4332
9 G A -1.1816
10 H A -0.6605
1 F B 0.5556
2 E B -1.7068
3 F B -1.8352
4 E B -3.8837
5 F B 0.0000
6 E B -4.4746
7 G B -4.3014
8 K B -3.5752
9 G B -1.7871
10 H B -1.2418
1 F C 0.1214
2 E C -2.1898
3 F C -2.7399
4 E C -3.4882
5 F C -4.0722
6 E C -3.8310
7 G C -3.6248
8 K C -3.0260
9 G C -1.7391
10 H C -1.3063
1 F D 0.3808
2 E D -1.5714
3 F D -1.6629
4 E D -3.1158
5 F D 0.0000
6 E D -3.8066
7 G D -4.2486
8 K D -3.4592
9 G D -2.2543
10 H D -0.8790
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Laboratory of Theory of Biopolymers 2018