Project name: ba1609d47583ebc

Status: done

Started: 2026-02-12 08:45:09
Settings
Chain sequence(s) A: GGGHKGF
C: GGGHKGF
B: GGGHKGF
E: GGGHKGF
D: GGGHKGF
G: GGGHKGF
F: GGGHKGF
H: GGGHKGF
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                                          (00:01:10)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:12)
Show buried residues

Minimal score value
-2.5272
Maximal score value
2.1654
Average score
-0.4798
Total score value
-26.8684

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 -1.0672
2 G A -1.3545
3 G A 0.0000
4 H A -2.3551
5 K A -1.2507
6 G A 0.1839
7 F A 1.9746
1 G B -1.1288
2 G B -1.5090
3 G B -2.0488
4 H B -2.5272
5 K B -1.8993
6 G B -0.1710
7 F B 1.9844
1 G C -0.9957
2 G C -1.1221
3 G C -0.9810
4 H C -1.5874
5 K C -0.6328
6 G C 0.4632
7 F C 2.1654
1 G D -1.1810
2 G D -1.4640
3 G D 0.0000
4 H D -1.6034
5 K D 0.0000
6 G D 0.6122
7 F D 1.9669
1 G E -0.9926
2 G E -1.2416
3 G E -0.9082
4 H E -1.7468
5 K E -0.8517
6 G E 0.2999
7 F E 2.1026
1 G F -0.9994
2 G F -1.1216
3 G F -1.0892
4 H F -1.9308
5 K F -1.2950
6 G F 0.0578
7 F F 1.8930
1 G G -1.1951
2 G G -1.2652
3 G G 0.0000
4 H G -1.5714
5 K G 0.0000
6 G G 0.3348
7 F G 1.6030
1 G H -1.2170
2 G H -1.0233
3 G H 0.0000
4 H H -1.5595
5 K H 0.0000
6 G H 0.5179
7 F H 1.8594
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Laboratory of Theory of Biopolymers 2018