Project name: b1a343d6806634e

Status: done

Started: 2026-05-21 15:52:51
Settings
Chain sequence(s) A: FQFGHGFQF
C: FQFGHGFQF
B: FQFGHGFQF
D: FQFGHGFQF
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                                          (00:00:15)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:16)
Show buried residues

Minimal score value
-0.6777
Maximal score value
4.5373
Average score
1.9356
Total score value
69.6801

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 3.4265
2 Q A 2.1743
3 F A 2.6202
4 G A 0.4326
5 H A -0.5820
6 G A 0.1792
7 F A 1.5672
8 Q A 2.2678
9 F A 4.1323
1 F B 4.2626
2 Q B 2.8371
3 F B 2.6580
4 G B 0.5396
5 H B -0.5311
6 G B 0.4251
7 F B 2.1248
8 Q B 2.6040
9 F B 4.0162
1 F C 3.8210
2 Q C 2.3709
3 F C 2.5520
4 G C 0.2918
5 H C -0.6777
6 G C 0.1597
7 F C 1.6198
8 Q C 2.3344
9 F C 3.9508
1 F D 4.5373
2 Q D 2.8964
3 F D 2.8373
4 G D 0.3228
5 H D -0.5331
6 G D 0.2922
7 F D 2.2696
8 Q D 2.2398
9 F D 3.2407
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Laboratory of Theory of Biopolymers 2018