Project name: c0692f2c18d827d

Status: done

Started: 2026-04-12 13:13:37
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Chain sequence(s) A: FTGHKTF
C: FTGHKTF
B: FTGHKTF
E: FTGHKTF
D: FTGHKTF
G: FTGHKTF
F: FTGHKTF
H: FTGHKTF
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                                          (00:01:01)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:03)
Show buried residues

Minimal score value
-1.4355
Maximal score value
3.2359
Average score
0.818
Total score value
45.8076

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 2.9380
2 T A 1.3881
3 G A 0.1408
4 H A 0.0000
5 K A 0.0084
6 T A 1.2653
7 F A 3.2359
1 F B 2.4614
2 T B 0.9591
3 G B -0.1335
4 H B -1.0279
5 K B -0.5850
6 T B 0.7039
7 F B 2.5808
1 F C 2.1493
2 T C 0.7340
3 G C -0.4429
4 H C -1.4355
5 K C -1.2733
6 T C 0.3283
7 F C 2.3657
1 F D 2.3049
2 T D 1.0811
3 G D -0.0600
4 H D 0.0000
5 K D -0.4543
6 T D 0.8518
7 F D 2.9559
1 F E 2.2310
2 T E 1.2560
3 G E 0.2063
4 H E 0.0000
5 K E -0.1275
6 T E 0.9668
7 F E 2.7437
1 F F 2.2629
2 T F 1.0691
3 G F 0.0217
4 H F -0.8000
5 K F -0.2758
6 T F 0.6442
7 F F 2.4319
1 F G 2.0733
2 T G 0.8783
3 G G -0.3295
4 H G -1.2999
5 K G -0.9623
6 T G 0.3891
7 F G 2.4491
1 F H 2.0257
2 T H 1.2280
3 G H -0.0319
4 H H 0.0000
5 K H -0.3897
6 T H 1.0090
7 F H 3.0978
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Laboratory of Theory of Biopolymers 2018