Project name: 6ab8e3c0923295c

Status: done

Started: 2026-05-21 11:35:27
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Chain sequence(s) A: SKGHKGH
C: SKGHKGH
B: SKGHKGH
E: SKGHKGH
D: SKGHKGH
G: SKGHKGH
F: SKGHKGH
H: SKGHKGH
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                                          (00:01:37)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:39)
Show buried residues

Minimal score value
-2.9301
Maximal score value
0.0
Average score
-1.7825
Total score value
-99.8203

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 S A -1.7710
2 K A -2.8005
3 G A -2.5463
4 H A -2.4729
5 K A -2.2890
6 G A -1.4726
7 H A -1.9406
1 S B -1.8063
2 K B -2.6240
3 G B 0.0000
4 H B -2.1939
5 K B 0.0000
6 G B -1.5060
7 H B -2.0457
1 S C -1.6492
2 K C -2.4732
3 G C 0.0000
4 H C -1.9344
5 K C 0.0000
6 G C -1.4809
7 H C -2.0421
1 S D -1.5799
2 K D -2.7918
3 G D -2.5617
4 H D -2.3722
5 K D -2.4133
6 G D -1.4838
7 H D -1.8558
1 S E -1.7379
2 K E -2.9301
3 G E -2.5448
4 H E -2.5660
5 K E -2.9281
6 G E -1.9017
7 H E -2.0700
1 S F -1.6526
2 K F -2.4430
3 G F 0.0000
4 H F -2.4399
5 K F 0.0000
6 G F -1.7166
7 H F -2.2043
1 S G -1.6099
2 K G -2.2222
3 G G 0.0000
4 H G -1.9209
5 K G 0.0000
6 G G -1.3907
7 H G -1.8976
1 S H -1.4108
2 K H -2.3419
3 G H -2.5001
4 H H -2.2744
5 K H -2.0023
6 G H -1.2857
7 H H -1.7217
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Laboratory of Theory of Biopolymers 2018