Project name: 53b55f3b32a6270

Status: done

Started: 2026-02-08 16:02:32
Settings
Chain sequence(s) L: CWYTDYIFKEAGKGRC
input PDB
Selected Chain(s) L
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]                                                (00:00:01)
[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 L 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                                          (00:00:12)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:12)
Show buried residues

Minimal score value
-2.153
Maximal score value
2.6032
Average score
0.0444
Total score value
0.7098

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
0 C L 0.2486
1 W L 1.4258
2 Y L 1.5198
3 T L 0.2287
4 D L -0.3014
5 Y L 1.5741
6 I L 2.6032
7 F L 2.0515
8 K L -1.5023
9 E L -2.1530
10 A L -0.3730
11 G L -0.8990
12 K L -1.8323
13 G L -0.5399
14 R L -1.7329
15 C L 0.3919
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Laboratory of Theory of Biopolymers 2018