Project name: 167387f16323fe7

Status: done

Started: 2026-05-21 12:16:45
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                                          (00:04:23)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:25)
Show buried residues

Minimal score value
-4.4898
Maximal score value
0.0
Average score
-2.7681
Total score value
-155.0134

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 -3.8078
2 K A -3.9883
3 G A -3.0296
4 H A -2.8680
5 K A -2.8170
6 G A -1.8369
7 H A -1.9073
1 K B -3.8614
2 K B -4.2030
3 G B -3.0651
4 H B -3.0040
5 K B -3.1448
6 G B -2.0980
7 H B -1.9521
1 K C -4.2908
2 K C -4.4305
3 G C -3.3354
4 H C 0.0000
5 K C -2.4882
6 G C -1.9875
7 H C -2.0573
1 K D -4.4898
2 K D -3.9711
3 G D -3.2978
4 H D 0.0000
5 K D -2.1508
6 G D -1.6977
7 H D -2.1227
1 K E -3.8241
2 K E -3.8509
3 G E -2.9877
4 H E -2.7115
5 K E -2.3171
6 G E -1.5837
7 H E -1.8661
1 K F -3.6643
2 K F -3.8686
3 G F -3.0128
4 H F -3.1492
5 K F -3.0037
6 G F -2.2860
7 H F -2.1573
1 K G -4.2761
2 K G -4.0143
3 G G -3.3050
4 H G 0.0000
5 K G -2.5731
6 G G -2.1074
7 H G -2.3788
1 K H -4.1887
2 K H -4.1740
3 G H -3.2443
4 H H 0.0000
5 K H -2.3024
6 G H -1.9905
7 H H -2.2729
Download PDB file
View in 3Dmol
Play the video

Laboratory of Theory of Biopolymers 2018