Project name: 2c7521e058578ce

Status: done

Started: 2026-05-21 15:14:03
Settings
Chain sequence(s) A: FFGHKGF
C: FFGHKGF
B: FFGHKGF
D: FFGHKGF
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                                          (00:00:23)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:24)
Show buried residues

Minimal score value
-1.3939
Maximal score value
4.3297
Average score
1.4503
Total score value
40.6087

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 4.2051
2 F A 3.4025
3 G A 0.7724
4 H A 0.4318
5 K A -1.3939
6 G A -0.0864
7 F A 2.0298
1 F B 4.3110
2 F B 3.5933
3 G B 1.0291
4 H B 0.5277
5 K B -1.3258
6 G B -0.2246
7 F B 1.8020
1 F C 4.2205
2 F C 3.5938
3 G C 1.1092
4 H C 0.7132
5 K C -0.9740
6 G C 0.0758
7 F C 2.2722
1 F D 4.3297
2 F D 3.6390
3 G D 1.1176
4 H D 0.6252
5 K D -1.1379
6 G D 0.0000
7 F D 1.9504
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Laboratory of Theory of Biopolymers 2018