Project name: c48469febd30e40

Status: done

Started: 2026-02-11 11:30:20
Settings
Chain sequence(s) A: GGKGHFF
C: GGKGHFF
B: GGKGHFF
E: GGKGHFF
D: GGKGHFF
G: GGKGHFF
F: GGKGHFF
H: GGKGHFF
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                                          (00:02:16)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:20)
Show buried residues

Minimal score value
-2.8899
Maximal score value
3.2552
Average score
-0.2319
Total score value
-12.9843

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 -0.9418
2 G A 0.0000
3 K A -2.4849
4 G A 0.0000
5 H A -0.1361
6 F A 0.0000
7 F A 3.2552
1 G B -0.3757
2 G B -0.8099
3 K B -2.3570
4 G B -1.4362
5 H B -0.4507
6 F B 2.1649
7 F B 2.8689
1 G C 0.2102
2 G C 0.1742
3 K C -1.4416
4 G C -1.0797
5 H C -0.3265
6 F C 1.5942
7 F C 2.1230
1 G D -0.4779
2 G D 0.0000
3 K D 0.2962
4 G D 0.0000
5 H D -0.4859
6 F D 0.0000
7 F D 0.5181
1 G E 0.5255
2 G E 0.0000
3 K E -0.9849
4 G E 0.0000
5 H E -0.8636
6 F E 0.0000
7 F E 0.8914
1 G F -0.1293
2 G F -0.6426
3 K F -1.9409
4 G F -2.2049
5 H F -1.4738
6 F F 0.0000
7 F F 1.2352
1 G G -0.6685
2 G G -1.2208
3 K G -2.7453
4 G G -2.1086
5 H G -1.0968
6 F G 0.6701
7 F G 2.1647
1 G H -1.0121
2 G H 0.0000
3 K H -2.8899
4 G H 0.0000
5 H H -0.9118
6 F H 0.0000
7 F H 2.0216
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Laboratory of Theory of Biopolymers 2018