Project name: 7c3ae0df79ea566

Status: done

Started: 2026-04-09 10:59:04
Settings
Chain sequence(s) A: CGEWTYDDATKTFTVTE
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]                                                (00:00:09)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:09)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:09)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:09)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:09)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:18)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:18)
Show buried residues

Minimal score value
-2.6683
Maximal score value
1.6195
Average score
-0.6235
Total score value
-10.5999

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 C A -0.0672
2 G A -1.0307
3 E A -1.3289
4 W A 0.7706
5 T A 0.5190
6 Y A 0.0710
7 D A -1.8137
8 D A -2.6683
9 A A -1.6924
10 T A -1.4777
11 K A -2.3145
12 T A -0.5382
13 F A 1.6195
14 T A 0.8733
15 V A 0.8699
16 T A -0.5877
17 E A -1.8039
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Laboratory of Theory of Biopolymers 2018