Project name: FYGHKYF8

Status: done

Started: 2026-04-14 09:50:47
Settings
Chain sequence(s) A: FYGHKYF
C: FYGHKYF
B: FYGHKYF
E: FYGHKYF
D: FYGHKYF
G: FYGHKYF
F: FYGHKYF
H: FYGHKYF
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                                          (00:01:57)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:59)
Show buried residues

Minimal score value
-1.0041
Maximal score value
3.5487
Average score
1.3904
Total score value
77.8634

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 2.5397
2 Y A 1.8850
3 G A 0.0000
4 H A -0.3189
5 K A -0.3090
6 Y A 1.0023
7 F A 1.5878
1 F B 1.8600
2 Y B 0.5644
3 G B 0.7729
4 H B 0.7655
5 K B 0.8182
6 Y B 2.6304
7 F B 2.7717
1 F C 2.0708
2 Y C 1.1643
3 G C 1.2809
4 H C 0.8311
5 K C 0.8762
6 Y C 2.4829
7 F C 1.9687
1 F D 1.8789
2 Y D 1.5398
3 G D 1.2792
4 H D 0.9663
5 K D 0.1216
6 Y D 2.6795
7 F D 3.5487
1 F E 2.1375
2 Y E 1.9320
3 G E 1.4476
4 H E 1.6677
5 K E 0.3396
6 Y E 2.2152
7 F E 2.7739
1 F F 3.1884
2 Y F 2.5215
3 G F 0.7700
4 H F -0.1946
5 K F -0.8057
6 Y F 1.2234
7 F F 1.7580
1 F G 2.5930
2 Y G 2.3280
3 G G 1.3165
4 H G -0.1070
5 K G 0.2188
6 Y G 1.7591
7 F G 2.9010
1 F H 2.4919
2 Y H 2.2836
3 G H 0.0000
4 H H -0.2755
5 K H -1.0041
6 Y H 1.1983
7 F H 1.9264
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Laboratory of Theory of Biopolymers 2018