Project name: d7ad8f6af976147

Status: done

Started: 2026-02-11 11:51:25
Settings
Chain sequence(s) A: GGHKGHK
C: GGHKGHK
B: GGHKGHK
E: GGHKGHK
D: GGHKGHK
G: GGHKGHK
F: GGHKGHK
H: GGHKGHK
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:03:56)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:58)
Show buried residues

Minimal score value
-3.6537
Maximal score value
0.0
Average score
-2.1077
Total score value
-118.0338

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 G A -1.1613
2 G A -2.0410
3 H A -2.3807
4 K A -2.9942
5 G A -2.6880
6 H A -3.0274
7 K A -3.1568
1 G B -1.2010
2 G B -1.9325
3 H B 0.0000
4 K B -2.3931
5 G B 0.0000
6 H B -3.0820
7 K B -3.6537
1 G C -1.2627
2 G C -2.0752
3 H C 0.0000
4 K C -2.7326
5 G C 0.0000
6 H C -3.1229
7 K C -3.6363
1 G D -1.1774
2 G D -1.7702
3 H D -2.5950
4 K D -2.7906
5 G D -2.7907
6 H D -2.7519
7 K D -3.0606
1 G E -1.0290
2 G E -1.6702
3 H E -2.1479
4 K E -2.6598
5 G E -2.7283
6 H E -2.8544
7 K E -3.0172
1 G F -1.1331
2 G F -1.7819
3 H F 0.0000
4 K F -2.4191
5 G F 0.0000
6 H F -2.9888
7 K F -3.4605
1 G G -1.3055
2 G G -2.1554
3 H G 0.0000
4 K G -3.0929
5 G G 0.0000
6 H G -3.2196
7 K G -3.2136
1 G H -1.2416
2 G H -2.1269
3 H H -2.5485
4 K H -3.1953
5 G H -2.6050
6 H H -2.9845
7 K H -2.9770
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Laboratory of Theory of Biopolymers 2018