Project name: KGHKGHK8

Status: done

Started: 2026-02-22 09:49:21
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Chain sequence(s) A: KGHKGHK
C: KGHKGHK
B: KGHKGHK
E: KGHKGHK
D: KGHKGHK
G: KGHKGHK
F: KGHKGHK
H: KGHKGHK
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                                          (00:12:33)
[INFO]       Main:     Simulation completed successfully.                                          (00:12:35)
Show buried residues

Minimal score value
-5.6862
Maximal score value
0.0
Average score
-3.332
Total score value
-186.5932

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 -4.9995
2 G A -4.1883
3 H A -4.5605
4 K A -5.6862
5 G A 0.0000
6 H A -4.3075
7 K A -4.8522
1 K B -4.6444
2 G B 0.0000
3 H B -3.7737
4 K B 0.0000
5 G B -3.6145
6 H B -3.5796
7 K B -4.0638
1 K C -4.4575
2 G C -3.1205
3 H C -2.8702
4 K C -4.5844
5 G C 0.0000
6 H C -5.3584
7 K C -5.6570
1 K D -4.2497
2 G D -2.9437
3 H D -3.0390
4 K D -3.2361
5 G D -2.5582
6 H D -2.5980
7 K D -2.6160
1 K E -3.5809
2 G E -2.9156
3 H E -2.8166
4 K E -3.8173
5 G E -3.0858
6 H E -3.0880
7 K E -3.4438
1 K F -3.1985
2 G F 0.0000
3 H F -3.6221
4 K F -4.3315
5 G F -3.3575
6 H F -3.0158
7 K F -3.4432
1 K G -4.0512
2 G G -3.7789
3 H G -4.0303
4 K G -3.7368
5 G G -3.0162
6 H G -3.2068
7 K G -2.7679
1 K H -2.8394
2 G H -3.3278
3 H H -4.0890
4 K H -4.0721
5 G H 0.0000
6 H H -4.2731
7 K H -4.1282
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Laboratory of Theory of Biopolymers 2018