Project name: GHKGHKG8

Status: done

Started: 2026-02-20 13:19:39
Settings
Chain sequence(s) A: GHKGHKG
C: GHKGHKG
B: GHKGHKG
E: GHKGHKG
D: GHKGHKG
G: GHKGHKG
F: GHKGHKG
H: GHKGHKG
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                                          (00:05:15)
[INFO]       Main:     Simulation completed successfully.                                          (00:05:17)
Show buried residues

Minimal score value
-5.6141
Maximal score value
0.0
Average score
-3.2475
Total score value
-181.8604

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 0.0000
2 H A -3.9380
3 K A -4.2948
4 G A -3.6144
5 H A -2.8229
6 K A -2.7018
7 G A -1.6057
1 G B -1.2842
2 H B -2.4990
3 K B -3.7251
4 G B 0.0000
5 H B -4.2468
6 K B -4.1785
7 G B -2.2266
1 G C -2.8005
2 H C -3.1925
3 K C -3.5587
4 G C -4.1779
5 H C -4.7276
6 K C -4.4083
7 G C -3.2579
1 G D -2.2483
2 H D -2.7956
3 K D -3.4407
4 G D 0.0000
5 H D -4.0218
6 K D -4.5859
7 G D -3.7246
1 G E -5.0723
2 H E 0.0000
3 K E -4.3461
4 G E -2.6698
5 H E -2.6809
6 K E -3.1522
7 G E 0.0000
1 G F -3.3135
2 H F -4.0249
3 K F -5.3812
4 G F -5.6141
5 H F -5.0382
6 K F -4.4572
7 G F -3.3847
1 G G -2.7421
2 H G -4.2512
3 K G -5.3152
4 G G 0.0000
5 H G -5.1184
6 K G -4.1898
7 G G -1.8166
1 G H -2.5176
2 H H -3.2142
3 K H -4.6800
4 G H -4.4743
5 H H -4.0128
6 K H -3.8011
7 G H -2.5139
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Laboratory of Theory of Biopolymers 2018