Project name: 61e8673d0610fef

Status: done

Started: 2026-02-12 15:27:07
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Chain sequence(s) A: FFKGHFG
C: FFKGHFG
B: FFKGHFG
E: FFKGHFG
D: FFKGHFG
G: FFKGHFG
F: FFKGHFG
H: FFKGHFG
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                                          (00:02:01)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:03)
Show buried residues

Minimal score value
-1.8433
Maximal score value
2.9616
Average score
-0.2726
Total score value
-15.2677

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 2.0715
2 F A 0.5078
3 K A -1.6488
4 G A -1.3845
5 H A -1.4836
6 F A 0.2126
7 G A -0.5694
1 F B 2.3743
2 F B 0.0000
3 K B -1.6766
4 G B -1.2858
5 H B -1.6135
6 F B 0.0391
7 G B -0.7479
1 F C 2.5867
2 F C 0.0000
3 K C -1.4461
4 G C 0.0000
5 H C -1.8200
6 F C 0.0000
7 G C -1.0532
1 F D 2.4295
2 F D 0.0000
3 K D -1.1218
4 G D 0.0000
5 H D -1.8433
6 F D -0.1278
7 G D -0.8739
1 F E 2.9616
2 F E 2.0008
3 K E -1.1056
4 G E -1.4036
5 H E -1.6209
6 F E 0.4256
7 G E -0.4653
1 F F 2.5352
2 F F 1.2461
3 K F -1.3724
4 G F -1.2183
5 H F -1.6349
6 F F 0.3066
7 G F -0.6667
1 F G 1.7966
2 F G 0.0000
3 K G -1.3808
4 G G 0.0000
5 H G -1.7348
6 F G 0.0000
7 G G -1.0069
1 F H 1.4407
2 F H 0.0000
3 K H -1.6608
4 G H -1.5921
5 H H -1.6806
6 F H 0.0000
7 G H -0.9625
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Laboratory of Theory of Biopolymers 2018