Project name: 77fa307851670a7

Status: done

Started: 2026-03-01 02:11:58
Settings
Chain sequence(s) A: INYWLAHAKAGYIVHWTA
input PDB
Selected Chain(s) A
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 A 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                                          (00:00:14)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:15)
Show buried residues

Minimal score value
-0.6194
Maximal score value
2.4831
Average score
1.162
Total score value
20.9163

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 2.1578
2 N A 1.3219
3 Y A 1.8051
4 W A 1.8348
5 L A 1.7493
6 A A 0.6814
7 H A -0.2430
8 A A 0.4077
9 K A -0.6194
10 A A -0.0382
11 G A 0.5171
12 Y A 1.4859
13 I A 2.1680
14 V A 2.4831
15 H A 1.0592
16 W A 1.9044
17 T A 1.2940
18 A A 0.9472
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Laboratory of Theory of Biopolymers 2018