Project name: FFGHKGG8

Status: done

Started: 2026-05-21 13:57:54
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Chain sequence(s) A: FFGHKGG
C: FFGHKGG
B: FFGHKGG
E: FFGHKGG
D: FFGHKGG
G: FFGHKGG
F: FFGHKGG
H: FFGHKGG
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                                          (00:00:46)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:48)
Show buried residues

Minimal score value
-3.03
Maximal score value
5.513
Average score
0.0572
Total score value
3.202

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 4.3632
2 F A 1.8968
3 G A -0.6537
4 H A -1.8288
5 K A -3.0300
6 G A -1.8601
7 G A -1.3525
1 F B 4.3149
2 F B 2.3686
3 G B -0.7067
4 H B -1.9172
5 K B -3.0194
6 G B -1.8493
7 G B -1.3676
1 F C 4.8128
2 F C 3.3214
3 G C 0.3475
4 H C -1.1259
5 K C -2.4513
6 G C -1.8212
7 G C -1.3511
1 F D 5.5130
2 F D 3.1589
3 G D 0.5400
4 H D -1.2639
5 K D -2.5204
6 G D -1.8195
7 G D -1.2661
1 F E 5.1263
2 F E 2.5750
3 G E -0.0578
4 H E -1.4492
5 K E -2.5320
6 G E -1.8147
7 G E -1.3790
1 F F 4.7910
2 F F 3.2539
3 G F 0.6567
4 H F -1.2618
5 K F -2.3437
6 G F -1.8389
7 G F -1.2729
1 F G 5.4813
2 F G 2.6592
3 G G 0.4113
4 H G -1.3545
5 K G -2.6480
6 G G -1.9242
7 G G -1.4714
1 F H 5.0032
2 F H 2.1544
3 G H 0.3035
4 H H -1.3245
5 K H -2.8137
6 G H -1.8399
7 G H -1.3200
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Laboratory of Theory of Biopolymers 2018