Project name: KKGHKGH8

Status: done

Started: 2026-05-21 12:39:53
Settings
Chain sequence(s) A: KKGHKGH
C: KKGHKGH
B: KKGHKGH
E: KKGHKGH
D: KKGHKGH
G: KKGHKGH
F: KKGHKGH
H: KKGHKGH
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                                          (00:01:24)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:25)
Show buried residues

Minimal score value
-4.4819
Maximal score value
-1.5488
Average score
-3.0804
Total score value
-172.502

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 -4.4819
2 K A -4.3318
3 G A -3.2642
4 H A -3.1254
5 K A -3.1208
6 G A -2.9512
7 H A -3.7560
1 K B -2.6171
2 K B -3.3384
3 G B -3.1650
4 H B -3.2205
5 K B -2.7105
6 G B -2.1307
7 H B -1.6739
1 K C -2.7816
2 K C -3.4305
3 G C -2.9053
4 H C -3.5951
5 K C -3.5699
6 G C -2.5523
7 H C -1.8714
1 K D -2.8800
2 K D -3.2950
3 G D -3.0736
4 H D -3.3071
5 K D -3.3710
6 G D -2.9114
7 H D -1.7218
1 K E -2.7212
2 K E -3.2969
3 G E -2.7677
4 H E -2.9455
5 K E -2.8901
6 G E -1.8808
7 H E -1.5488
1 K F -2.9859
2 K F -3.5456
3 G F -3.6199
4 H F -4.0366
5 K F -3.6762
6 G F -3.1070
7 H F -2.9675
1 K G -3.0009
2 K G -3.9106
3 G G -3.1901
4 H G -2.9877
5 K G -3.2202
6 G G -2.0865
7 H G -1.7005
1 K H -3.7617
2 K H -3.5030
3 G H -2.6613
4 H H -3.6770
5 K H -4.0816
6 G H -3.3035
7 H H -4.2743
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Laboratory of Theory of Biopolymers 2018