Project name: 39f86122d82ba83

Status: done

Started: 2026-06-27 15:14:36
Settings
Chain sequence(s) A: FEFEFKFK
C: FEFEFKFK
B: FEFEFKFK
D: FEFEFKFK
input PDB
Selected Chain(s) A,C,B,D
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                                          (00:02:47)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:48)
Show buried residues

Minimal score value
-0.6769
Maximal score value
1.8064
Average score
0.4764
Total score value
15.2437

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 1.5659
2 E A 0.0886
3 F A 0.9510
4 E A -0.1335
5 F A 1.1547
6 K A -0.4067
7 F A 0.7456
8 K A -0.5259
1 F B 1.4709
2 E B -0.1926
3 F B 0.6949
4 E B -0.3603
5 F B 1.1281
6 K B -0.3599
7 F B 0.8855
8 K B -0.4403
1 F C 1.3971
2 E C -0.3801
3 F C 1.3330
4 E C 0.0121
5 F C 1.5492
6 K C -0.0262
7 F C 1.1909
8 K C -0.6769
1 F D 1.2972
2 E D -0.6480
3 F D 1.1518
4 E D -0.1178
5 F D 1.8064
6 K D 0.2506
7 F D 1.4072
8 K D -0.5688
Download PDB file
View in 3Dmol
Play the video

Laboratory of Theory of Biopolymers 2018