Project name: KGHKGHG8

Status: done

Started: 2026-05-21 14:35:10
Settings
Chain sequence(s) A: KGHKGHG
C: KGHKGHG
B: KGHKGHG
E: KGHKGHG
D: KGHKGHG
G: KGHKGHG
F: KGHKGHG
H: KGHKGHG
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                                          (00:06:46)
[INFO]       Main:     Simulation completed successfully.                                          (00:06:48)
Show buried residues

Minimal score value
-5.1511
Maximal score value
0.0
Average score
-2.7275
Total score value
-152.7408

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 K A -4.6587
2 G A 0.0000
3 H A -4.9423
4 K A -4.6288
5 G A -3.1495
6 H A -3.1992
7 G A -1.7880
1 K B -3.6696
2 G B -3.5377
3 H B -4.5819
4 K B -5.0683
5 G B 0.0000
6 H B -3.5061
7 G B -2.7130
1 K C -3.6613
2 G C 0.0000
3 H C -4.1763
4 K C -5.1511
5 G C 0.0000
6 H C -3.6718
7 G C -3.0657
1 K D -2.6587
2 G D -2.7627
3 H D -2.2137
4 K D -3.2580
5 G D -2.8189
6 H D -2.5824
7 G D -3.0184
1 K E -4.3802
2 G E 0.0000
3 H E -2.6218
4 K E -2.8209
5 G E -2.0263
6 H E -1.8989
7 G E -1.6368
1 K F -3.4810
2 G F -3.0787
3 H F -4.1625
4 K F -4.2316
5 G F 0.0000
6 H F -2.6275
7 G F -2.1781
1 K G -3.5206
2 G G 0.0000
3 H G -4.1511
4 K G -4.6497
5 G G 0.0000
6 H G -2.6341
7 G G -1.8414
1 K H -4.1885
2 G H 0.0000
3 H H -4.1136
4 K H -4.0017
5 G H 0.0000
6 H H -2.3746
7 G H -1.6391
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Laboratory of Theory of Biopolymers 2018