Project name: aa28bc931ed9c6

Status: done

Started: 2025-10-06 14:32:10
Settings
Chain sequence(s) A: GGSGGTPLGLWAGGSGTSKLQADGGSG
input PDB
Selected Chain(s) A
Distance of aggregation 5 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                                          (00:00:03)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:03)
Show buried residues

Minimal score value
-1.8731
Maximal score value
1.4281
Average score
-0.3159
Total score value
-8.2126

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 G A -0.2179
2 G A -0.1426
3 S A -0.3089
4 G A -0.5895
5 G A -0.5561
6 T A -0.1545
7 P A 0.0177
8 L A 1.4281
9 G A -0.0316
10 L A 0.7064
11 W A 0.9404
12 A A 0.1646
13 G A -0.2888
14 G A -0.5438
15 S A -0.3827
16 G A -0.5181
17 T A -0.1932
18 S A -0.5346
19 K A -1.6553
20 L A -0.0618
21 Q A -1.1118
22 A A -0.5370
23 D A -1.8731
24 G A -0.8824
25 G A -0.5890
26 S A -0.2971
Download PDB file
View in 3Dmol
Play the video

Laboratory of Theory of Biopolymers 2018