Project name: FGGHKGF8

Status: done

Started: 2026-02-20 06:32:38
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Chain sequence(s) A: FGGHKGF
C: FGGHKGF
B: FGGHKGF
E: FGGHKGF
D: FGGHKGF
G: FGGHKGF
F: FGGHKGF
H: FGGHKGF
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                                          (00:08:14)
[INFO]       Main:     Simulation completed successfully.                                          (00:08:16)
Show buried residues

Minimal score value
-3.0222
Maximal score value
4.8985
Average score
0.2935
Total score value
16.4363

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 2.3297
2 G A 0.0000
3 G A 0.0000
4 H A -1.5236
5 K A -0.7420
6 G A 1.8986
7 F A 4.7654
1 F B 2.2796
2 G B -0.5518
3 G B -2.0453
4 H B -1.7180
5 K B -0.9517
6 G B 0.0000
7 F B 4.8985
1 F C 2.9287
2 G C 0.0000
3 G C -1.8262
4 H C -2.0048
5 K C -1.6244
6 G C 0.0000
7 F C 4.2025
1 F D 3.6279
2 G D 1.7847
3 G D -0.0912
4 H D -1.8978
5 K D -2.5455
6 G D -1.4713
7 F D 0.7447
1 F E 3.5156
2 G E 2.8520
3 G E 1.0568
4 H E -0.9789
5 K E -2.7832
6 G E -1.9332
7 F E -0.2555
1 F F 3.6682
2 G F 0.0000
3 G F 0.0000
4 H F -2.7169
5 K F -2.6584
6 G F 0.0000
7 F F 2.7675
1 F G 2.9777
2 G G -0.6143
3 G G 0.0000
4 H G -3.0222
5 K G -1.0542
6 G G 1.8553
7 F G 2.8299
1 F H 3.3471
2 G H 0.1743
3 G H -1.7503
4 H H -2.4016
5 K H -1.9989
6 G H 0.5601
7 F H 2.5327
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Laboratory of Theory of Biopolymers 2018