Project name: cc2356a8079cf2f

Status: done

Started: 2026-02-11 05:59:49
Settings
Chain sequence(s) A: GSKGHFF
C: GSKGHFF
B: GSKGHFF
E: GSKGHFF
D: GSKGHFF
G: GSKGHFF
F: GSKGHFF
H: GSKGHFF
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                                          (00:01:43)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:45)
Show buried residues

Minimal score value
-2.6432
Maximal score value
2.2983
Average score
-0.2863
Total score value
-16.034

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 G A -0.5592
2 S A 0.0000
3 K A -0.9513
4 G A 0.0000
5 H A -0.6091
6 F A 0.0000
7 F A 1.3255
1 G B 0.1878
2 S B 0.0000
3 K B -0.5376
4 G B 0.0000
5 H B -1.0355
6 F B 0.0000
7 F B 1.0447
1 G C 0.3403
2 S C 0.0423
3 K C -1.5584
4 G C -1.5227
5 H C -1.5605
6 F C -0.4695
7 F C 0.7721
1 G D -0.7931
2 S D -1.2452
3 K D -2.6432
4 G D -1.9690
5 H D -1.1198
6 F D 1.0756
7 F D 2.2983
1 G E -0.6842
2 S E -0.9472
3 K E -2.1133
4 G E 0.0000
5 H E -0.8233
6 F E 0.0000
7 F E 2.0437
1 G F -0.0137
2 S F 0.0000
3 K F 0.4260
4 G F 0.0000
5 H F -0.6769
6 F F 0.0000
7 F F -0.1251
1 G G -0.1052
2 S G 0.0866
3 K G -1.2476
4 G G 0.0000
5 H G -0.6481
6 F G -0.0156
7 F G 1.3410
1 G H -0.9003
2 S H -1.0775
3 K H -1.9577
4 G H -1.5191
5 H H -0.5468
6 F H 0.9193
7 F H 2.0385
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Laboratory of Theory of Biopolymers 2018