Project name: FGGHKGF12

Status: done

Started: 2026-02-20 06:42:41
Settings
Chain sequence(s) A: FGGHKGF
C: FGGHKGF
B: FGGHKGF
E: FGGHKGF
D: FGGHKGF
G: FGGHKGF
F: FGGHKGF
I: FGGHKGF
H: FGGHKGF
K: FGGHKGF
J: FGGHKGF
L: FGGHKGF
input PDB
Selected Chain(s) A,C,B,E,D,G,F,I,H,K,J,L
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                                          (00:02:02)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:04)
Show buried residues

Minimal score value
-2.9017
Maximal score value
3.5286
Average score
-0.4162
Total score value
-34.9577

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 2.3334
2 G A 0.0260
3 G A -1.3396
4 H A -2.6194
5 K A -2.6802
6 G A -0.9144
7 F A 1.1141
1 F B 3.4224
2 G B 0.8477
3 G B -1.2462
4 H B -2.3066
5 K B -2.9017
6 G B -0.9128
7 F B 1.3244
1 F C 3.2785
2 G C 0.0000
3 G C -0.8424
4 H C -2.1179
5 K C -2.2515
6 G C -0.9339
7 F C 1.3188
1 F D 2.5978
2 G D 0.0000
3 G D -1.0757
4 H D -2.4606
5 K D -2.7003
6 G D -0.9909
7 F D 1.1505
1 F E 2.5861
2 G E 0.0000
3 G E -1.2339
4 H E -2.6086
5 K E -2.6044
6 G E -0.6859
7 F E 1.3628
1 F F 2.7112
2 G F 0.7642
3 G F -1.1950
4 H F -2.4507
5 K F -2.7872
6 G F -0.9317
7 F F 1.3353
1 F G 3.0944
2 G G 0.0583
3 G G -1.3844
4 H G -2.5369
5 K G -2.7276
6 G G -0.7758
7 F G 1.3787
1 F H 3.5286
2 G H 0.3950
3 G H -1.2681
4 H H -2.6549
5 K H -2.7498
6 G H -0.8886
7 F H 1.1019
1 F I 3.1948
2 G I 0.3996
3 G I -1.0537
4 H I -2.3031
5 K I -2.4637
6 G I -0.8314
7 F I 1.0872
1 F J 2.9391
2 G J -0.0468
3 G J -1.3243
4 H J -2.4100
5 K J -2.4395
6 G J -0.7547
7 F J 1.2160
1 F K 2.6434
2 G K -0.1180
3 G K -1.3777
4 H K -2.3780
5 K K -2.3046
6 G K -0.5455
7 F K 1.2367
1 F L 1.5275
2 G L -0.3305
3 G L -1.9144
4 H L -2.6439
5 K L -2.5366
6 G L -0.5926
7 F L 1.2145
Download PDB file
View in 3Dmol
Play the video

Laboratory of Theory of Biopolymers 2018