Project name: GSGHKFF8

Status: done

Started: 2026-02-20 08:11:28
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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]                                                (00:00:01)
[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                                          (00:10:02)
[INFO]       Main:     Simulation completed successfully.                                          (00:10:04)
Show buried residues

Minimal score value
-2.0248
Maximal score value
3.6088
Average score
0.4144
Total score value
23.2044

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 -0.2546
2 S A 0.1327
3 G A 0.0000
4 H A 0.0000
5 K A 0.0000
6 F A 3.1066
7 F A 2.9607
1 G B -0.7107
2 S B 0.0418
3 G B 0.0000
4 H B 0.9373
5 K B 0.0000
6 F B 2.4953
7 F B 1.9470
1 G C -1.0050
2 S C -1.0967
3 G C 0.0000
4 H C -0.9165
5 K C -0.1546
6 F C 2.1481
7 F C 2.0604
1 G D -1.0027
2 S D -1.3244
3 G D -0.7849
4 H D -1.0017
5 K D -0.6822
6 F D 1.3667
7 F D 1.0410
1 G E -0.9359
2 S E -1.3483
3 G E -1.5403
4 H E -2.0248
5 K E -1.3657
6 F E 1.8170
7 F E 3.2825
1 G F -0.8338
2 S F -0.5956
3 G F -0.1527
4 H F 0.2112
5 K F 1.6357
6 F F 2.9074
7 F F 3.5152
1 G G -1.1146
2 S G -1.1164
3 G G 0.0000
4 H G -0.2121
5 K G 1.4123
6 F G 2.5763
7 F G 3.4315
1 G H -1.2376
2 S H -0.8463
3 G H -0.7761
4 H H 0.5605
5 K H 0.0000
6 F H 3.0426
7 F H 3.6088
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Laboratory of Theory of Biopolymers 2018