Project name: a18a4d6b53c0381

Status: done

Started: 2026-05-21 14:26:37
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Chain sequence(s) A: FFGHKFG
C: FFGHKFG
B: FFGHKFG
E: FFGHKFG
D: FFGHKFG
G: FFGHKFG
F: FFGHKFG
H: FFGHKFG
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                                          (00:01:55)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:57)
Show buried residues

Minimal score value
-2.5951
Maximal score value
4.351
Average score
0.4571
Total score value
25.5981

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 F A 3.6733
2 F A 2.8414
3 G A 0.0000
4 H A 0.0000
5 K A -2.2763
6 F A 0.0000
7 G A -1.3407
1 F B 3.4755
2 F B 2.9095
3 G B 0.5038
4 H B -1.0332
5 K B -2.2713
6 F B -0.8847
7 G B -0.9611
1 F C 3.2774
2 F C 2.2406
3 G C 0.2561
4 H C -1.1806
5 K C -2.4410
6 F C -1.0602
7 G C -1.1631
1 F D 3.9362
2 F D 2.7867
3 G D 0.6659
4 H D 0.0000
5 K D -2.5951
6 F D 0.0000
7 G D -1.5091
1 F E 4.3510
2 F E 3.1183
3 G E 0.9590
4 H E 0.0000
5 K E -2.2140
6 F E 0.0000
7 G E -1.1651
1 F F 3.8873
2 F F 3.4367
3 G F 0.9860
4 H F -0.8344
5 K F -1.8521
6 F F -0.0967
7 G F -0.5510
1 F G 3.7418
2 F G 3.3562
3 G G 1.0610
4 H G -0.7450
5 K G -1.9489
6 F G -0.5981
7 G G -0.8202
1 F H 4.0056
2 F H 3.0567
3 G H 0.0000
4 H H 0.0000
5 K H -2.1172
6 F H 0.0000
7 G H -1.2688
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Laboratory of Theory of Biopolymers 2018