Project name: GGGHKFF8

Status: done

Started: 2026-02-23 06:48:42
Settings
Chain sequence(s) A: GGGHKFF
C: GGGHKFF
B: GGGHKFF
E: GGGHKFF
D: GGGHKFF
G: GGGHKFF
F: GGGHKFF
H: GGGHKFF
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                                          (00:02:43)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:46)
Show buried residues

Minimal score value
-1.9195
Maximal score value
2.0452
Average score
-0.4994
Total score value
-27.9637

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 -1.1160
2 G A -1.4481
3 G A -1.5009
4 H A -1.2791
5 K A -0.9585
6 F A 0.6335
7 F A 1.2950
1 G B -1.2359
2 G B -1.5590
3 G B -1.7579
4 H B 0.0000
5 K B -1.2884
6 F B 0.7181
7 F B 1.9379
1 G C -1.1399
2 G C -1.4355
3 G C -1.9195
4 H C -1.4009
5 K C -1.1844
6 F C 0.7878
7 F C 2.0452
1 G D -0.8639
2 G D -0.8602
3 G D -0.3746
4 H D 0.0000
5 K D -0.3322
6 F D 0.2126
7 F D 0.0000
1 G E -0.7916
2 G E -0.9889
3 G E -1.0539
4 H E -0.8272
5 K E -0.2058
6 F E 0.8500
7 F E 1.6502
1 G F -0.9497
2 G F -1.1734
3 G F -1.3648
4 H F -1.5740
5 K F -1.1855
6 F F 0.2848
7 F F 0.1151
1 G G -0.9394
2 G G -1.2356
3 G G 0.0000
4 H G -1.0004
5 K G -0.7171
6 F G 0.0000
7 F G 0.4865
1 G H -0.5798
2 G H -0.7921
3 G H -0.4487
4 H H -0.2388
5 K H -0.5989
6 F H 0.0000
7 F H -0.6599
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Laboratory of Theory of Biopolymers 2018