Project name: 5a7365e30e5da6b

Status: done

Started: 2026-05-21 14:40:36
Settings
Chain sequence(s) A: FFGHKGG
C: FFGHKGG
B: FFGHKGG
D: FFGHKGG
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                                          (00:00:28)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:29)
Show buried residues

Minimal score value
-3.0415
Maximal score value
3.1619
Average score
-0.3088
Total score value
-8.6461

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 3.0759
2 F A 2.9942
3 G A 0.6205
4 H A -1.6186
5 K A -2.5636
6 G A -2.0182
7 G A -1.6125
1 F B 3.0053
2 F B 3.1619
3 G B 0.6647
4 H B -1.4956
5 K B -2.6945
6 G B -2.2273
7 G B -1.7554
1 F C 2.8256
2 F C 2.7470
3 G C 0.3567
4 H C -1.8975
5 K C -3.0415
6 G C -2.3407
7 G C -1.9024
1 F D 2.9874
2 F D 2.9020
3 G D 0.1352
4 H D -1.9751
5 K D -2.9045
6 G D -2.4043
7 G D -1.6708
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Laboratory of Theory of Biopolymers 2018