Project name: GGGHKFG8

Status: done

Started: 2026-02-23 05:26:43
Settings
Chain sequence(s) A: GGGHKFG
C: GGGHKFG
B: GGGHKFG
E: GGGHKFG
D: GGGHKFG
G: GGGHKFG
F: GGGHKFG
H: GGGHKFG
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                                          (00:02:18)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:20)
Show buried residues

Minimal score value
-3.2937
Maximal score value
0.0
Average score
-1.8952
Total score value
-106.1295

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 -1.8257
2 G A -1.9966
3 G A 0.0000
4 H A -2.7105
5 K A -3.2725
6 F A 0.0000
7 G A -2.3355
1 G B -2.3585
2 G B 0.0000
3 G B 0.0000
4 H B -2.1165
5 K B -3.1684
6 F B 0.0000
7 G B -2.2044
1 G C -1.3505
2 G C -1.8304
3 G C 0.0000
4 H C -2.5822
5 K C -3.1356
6 F C -2.1405
7 G C -1.9575
1 G D -1.4955
2 G D -1.8282
3 G D -2.4657
4 H D -2.3645
5 K D -2.8549
6 F D -1.8199
7 G D -1.5170
1 G E -1.4874
2 G E -1.8270
3 G E -2.6536
4 H E -2.5173
5 K E -3.1520
6 F E 0.0000
7 G E -2.1195
1 G F -1.6197
2 G F -1.6985
3 G F -2.5474
4 H F -2.4350
5 K F -3.2824
6 F F 0.0000
7 G F -2.0864
1 G G -1.3771
2 G G -1.6228
3 G G -2.3279
4 H G -2.4929
5 K G -3.1733
6 F G -2.9575
7 G G -2.2071
1 G H -1.3436
2 G H -1.4277
3 G H -2.2206
4 H H -2.7157
5 K H -3.2937
6 F H 0.0000
7 G H -2.2124
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Laboratory of Theory of Biopolymers 2018