Project name: 841ab0c13ae8a66

Status: done

Started: 2026-04-14 17:04:28
Settings
Chain sequence(s) A: EAQNNYWNNVDQTID
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]                                                (00:00:00)
[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 A 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                                          (00:00:06)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:06)
Show buried residues

Minimal score value
-2.4059
Maximal score value
0.4606
Average score
-1.137
Total score value
-17.0547

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 E A -2.3778
2 A A -2.0282
3 Q A -2.4059
4 N A -2.2673
5 N A -1.8084
6 Y A 0.2111
7 W A 0.3129
8 N A -1.3111
9 N A -1.3227
10 V A 0.0416
11 D A -1.7193
12 Q A -1.3581
13 T A -0.5153
14 I A 0.4606
15 D A -0.9668
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Laboratory of Theory of Biopolymers 2018