Project name: 13040c179aba8a4

Status: done

Started: 2026-05-21 11:27:26
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Chain sequence(s) A: GHKGHKS
C: GHKGHKS
B: GHKGHKS
E: GHKGHKS
D: GHKGHKS
G: GHKGHKS
F: GHKGHKS
H: GHKGHKS
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                                          (00:04:48)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:50)
Show buried residues

Minimal score value
-3.7736
Maximal score value
0.0
Average score
-1.9725
Total score value
-110.4572

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 -1.7100
2 H A -2.1171
3 K A -2.6466
4 G A 0.0000
5 H A 0.0000
6 K A -2.2844
7 S A -1.2867
1 G B -1.5822
2 H B -1.8734
3 K B -2.3014
4 G B 0.0000
5 H B 0.0000
6 K B -2.0467
7 S B -1.2029
1 G C -1.7898
2 H C -2.5228
3 K C -3.1193
4 G C 0.0000
5 H C -3.2480
6 K C -2.8873
7 S C -1.6539
1 G D -1.8385
2 H D -2.7427
3 K D -3.7736
4 G D -3.2366
5 H D -3.3807
6 K D -3.3029
7 S D -1.6279
1 G E -1.6576
2 H E -2.2447
3 K E -3.3737
4 G E 0.0000
5 H E -2.8559
6 K E -2.8787
7 S E -1.2913
1 G F -1.9848
2 H F -2.5974
3 K F -3.6689
4 G F 0.0000
5 H F 0.0000
6 K F -2.6495
7 S F -1.5596
1 G G -1.6052
2 H G -2.5559
3 K G -3.0438
4 G G 0.0000
5 H G -2.5988
6 K G -2.6994
7 S G -1.4719
1 G H -1.6069
2 H H -2.5820
3 K H -3.1020
4 G H -2.5404
5 H H -2.4405
6 K H -2.1455
7 S H -1.1274
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Laboratory of Theory of Biopolymers 2018