Project name: 911295077511ab5

Status: done

Started: 2026-02-12 13:20:39
Settings
Chain sequence(s) A: FKFEKGH
C: FKFEKGH
B: FKFEKGH
E: FKFEKGH
D: FKFEKGH
G: FKFEKGH
F: FKFEKGH
H: FKFEKGH
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                                          (00:05:25)
[INFO]       Main:     Simulation completed successfully.                                          (00:05:27)
Show buried residues

Minimal score value
-3.0231
Maximal score value
0.6804
Average score
-1.437
Total score value
-80.4747

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 -1.2455
2 K A -2.2668
3 F A 0.0000
4 E A -1.7711
5 K A -1.0616
6 G A -1.0884
7 H A -1.1443
1 F B -1.4439
2 K B -2.4019
3 F B 0.0000
4 E B -1.6630
5 K B -0.8153
6 G B -0.9460
7 H B -1.1519
1 F C 0.6804
2 K C -1.5495
3 F C -1.4991
4 E C -3.0231
5 K C -2.5452
6 G C -1.9275
7 H C -1.5750
1 F D 0.2254
2 K D -1.7971
3 F D -1.5114
4 E D -2.7381
5 K D -1.8927
6 G D -1.6793
7 H D -1.5651
1 F E -1.3282
2 K E -2.3326
3 F E 0.0000
4 E E -1.7804
5 K E -0.9265
6 G E -1.0750
7 H E -1.2347
1 F F -1.2031
2 K F -2.2644
3 F F 0.0000
4 E F -1.9934
5 K F -1.2212
6 G F -1.3302
7 H F -1.2800
1 F G -0.2175
2 K G -2.0250
3 F G -1.5735
4 E G -2.6817
5 K G -1.7765
6 G G -1.6020
7 H G -1.4957
1 F H -0.0569
2 K H -1.8502
3 F H -1.4838
4 E H -2.7979
5 K H -2.1660
6 G H -1.8004
7 H H -1.5809
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Laboratory of Theory of Biopolymers 2018