Project name: 4aa0c2bef142047

Status: done

Started: 2026-02-11 06:54:36
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Chain sequence(s) A: GSGHKFF
C: GSGHKFF
B: GSGHKFF
E: GSGHKFF
D: GSGHKFF
G: GSGHKFF
F: GSGHKFF
H: GSGHKFF
input PDB
Selected Chain(s) A,C,B,E,D,G,F,H
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                                          (00:01:13)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:16)
Show buried residues

Minimal score value
-1.6466
Maximal score value
3.3307
Average score
-0.1928
Total score value
-10.7976

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 G A -0.9821
2 S A -0.8868
3 G A -1.4016
4 H A -1.3457
5 K A -1.3709
6 F A 0.6796
7 F A 2.4382
1 G B -0.9641
2 S B -0.9366
3 G B -1.5632
4 H B -1.6069
5 K B -1.3503
6 F B 0.8339
7 F B 2.4814
1 G C -1.0968
2 S C -0.9831
3 G C -1.3262
4 H C 0.0000
5 K C -0.6533
6 F C 0.0000
7 F C 2.7055
1 G D -1.0848
2 S D -0.8564
3 G D -0.9670
4 H D 0.0000
5 K D -0.4600
6 F D 0.0000
7 F D 3.2234
1 G E -1.0793
2 S E -1.0462
3 G E -1.3831
4 H E 0.0000
5 K E -0.2875
6 F E 0.0000
7 F E 3.3307
1 G F -0.8793
2 S F -1.0549
3 G F -1.5129
4 H F -1.6466
5 K F -0.6979
6 F F 2.1873
7 F F 3.2713
1 G G -0.8793
2 S G -0.9250
3 G G -1.1648
4 H G -1.1605
5 K G -0.8483
6 F G 1.2020
7 F G 2.7175
1 G H -1.1073
2 S H -1.0431
3 G H -1.5035
4 H H 0.0000
5 K H -0.6288
6 F H 0.0000
7 F H 2.8157
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Laboratory of Theory of Biopolymers 2018