Project name: 119b994e81ff26a

Status: done

Started: 2026-02-08 15:51:22
Settings
Chain sequence(s) L: CYIPLYFPGPGDPKC
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                                          (00:00:15)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:15)
Show buried residues

Minimal score value
-1.8954
Maximal score value
2.2649
Average score
0.4053
Total score value
6.0796

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 1.2031
1 Y L 1.7862
2 I L 2.2649
3 P L 0.4211
4 L L 1.7872
5 Y L 2.0421
6 F L 2.2099
7 P L -0.0037
8 G L -0.5609
9 P L -0.4263
10 G L -0.8479
11 D L -1.8954
12 P L -0.7597
13 K L -1.5670
14 C L 0.4260
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Laboratory of Theory of Biopolymers 2018