Project name: 300d4bc8381169a

Status: done

Started: 2026-02-12 15:09:20
Settings
Chain sequence(s) A: IVIVKGHE
C: IVIVKGHE
B: IVIVKGHE
D: IVIVKGHE
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]                                                (00:00:01)
[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                                          (00:00:44)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:45)
Show buried residues

Minimal score value
-3.9818
Maximal score value
5.0018
Average score
0.4006
Total score value
12.8176

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 I A 4.9914
2 V A 4.8609
3 I A 3.3793
4 V A 1.4612
5 K A -1.3686
6 G A -2.8760
7 H A -3.9818
8 E A -3.9452
1 I B 5.0018
2 V B 4.9264
3 I B 3.3930
4 V B 1.4169
5 K B -1.4278
6 G B -2.7615
7 H B -3.7450
8 E B -3.8988
1 I C 4.3094
2 V C 4.6178
3 I C 3.4722
4 V C 1.7519
5 K C -1.3691
6 G C -2.3264
7 H C -3.2966
8 E C -3.1890
1 I D 4.2459
2 V D 4.6488
3 I D 3.2750
4 V D 1.8575
5 K D -1.3895
6 G D -2.6199
7 H D -3.3426
8 E D -3.2540
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Laboratory of Theory of Biopolymers 2018