Project name: GGKGHGF8

Status: done

Started: 2026-05-21 08:46:59
Settings
Chain sequence(s) A: GGKGHGF
C: GGKGHGF
B: GGKGHGF
E: GGKGHGF
D: GGKGHGF
G: GGKGHGF
F: GGKGHGF
H: GGKGHGF
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]                                                (00:00:00)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:00)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:04:57)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:58)
Show buried residues

Minimal score value
-4.2351
Maximal score value
2.8774
Average score
-1.2544
Total score value
-70.2469

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 -2.2881
2 G A -2.9285
3 K A -4.2351
4 G A 0.0000
5 H A -1.5004
6 G A 0.4530
7 F A 2.5481
1 G B -2.0927
2 G B -2.9369
3 K B -4.1655
4 G B -2.5763
5 H B -1.5436
6 G B 0.6691
7 F B 2.8774
1 G C -1.7337
2 G C -2.7027
3 K C -3.5632
4 G C -2.1585
5 H C 0.0000
6 G C 0.4438
7 F C 0.0000
1 G D -2.0336
2 G D -2.2884
3 K D -3.3960
4 G D -1.4950
5 H D -0.8393
6 G D 0.0000
7 F D 2.8233
1 G E -1.9318
2 G E -2.6323
3 K E -3.4891
4 G E -2.9484
5 H E -2.0202
6 G E 0.0000
7 F E 1.6047
1 G F -1.6581
2 G F -2.3316
3 K F -3.5555
4 G F -2.6266
5 H F -1.1121
6 G F 0.5534
7 F F 0.0000
1 G G -2.0901
2 G G -2.5514
3 K G -3.6298
4 G G 0.0000
5 H G -0.6711
6 G G 0.0000
7 F G 0.0000
1 G H -2.4592
2 G H 0.0000
3 K H -3.5480
4 G H 0.0000
5 H H -0.4004
6 G H 0.0000
7 F H 1.9135
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Laboratory of Theory of Biopolymers 2018