Project name: 5095d891315fbbb

Status: done

Started: 2026-05-21 15:13:54
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Chain sequence(s) A: FFGHKGF
C: FFGHKGF
B: FFGHKGF
E: FFGHKGF
D: FFGHKGF
G: FFGHKGF
F: FFGHKGF
H: FFGHKGF
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                                          (00:01:35)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:36)
Show buried residues

Minimal score value
-1.6689
Maximal score value
3.7692
Average score
1.0191
Total score value
57.0711

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 3.7692
2 F A 2.5702
3 G A 0.0000
4 H A 0.4381
5 K A -1.1571
6 G A 0.6416
7 F A 2.9765
1 F B 3.6328
2 F B 3.2484
3 G B 0.7635
4 H B 0.0561
5 K B -1.5956
6 G B 0.0268
7 F B 2.2137
1 F C 2.9524
2 F C 1.6596
3 G C 0.3330
4 H C -0.2879
5 K C -1.6657
6 G C 0.0316
7 F C 2.1741
1 F D 3.4511
2 F D 0.0000
3 G D 0.0000
4 H D 0.4204
5 K D -0.9432
6 G D 0.5979
7 F D 2.5908
1 F E 3.0162
2 F E 1.3248
3 G E 0.4473
4 H E 0.2549
5 K E -0.6506
6 G E 0.5095
7 F E 2.3407
1 F F 2.8170
2 F F 1.6496
3 G F 0.0755
4 H F -0.2545
5 K F -1.6689
6 G F 0.1317
7 F F 2.1154
1 F G 2.6993
2 F G 1.7666
3 G G 0.0000
4 H G 0.0000
5 K G -0.9955
6 G G 1.0386
7 F G 2.8634
1 F H 3.0953
2 F H 1.8978
3 G H 0.0000
4 H H 0.0000
5 K H -0.8134
6 G H 1.1702
7 F H 3.3419
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Laboratory of Theory of Biopolymers 2018