Project name: BPC-157

Status: done

Started: 2026-06-17 09:25:08
Settings
Chain sequence(s) A: GEPPPGKPADDAGLV
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]                                                (00:00:01)
[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 A 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
-3.0202
Maximal score value
2.3914
Average score
-1.2184
Total score value
-18.2766

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 -1.4592
2 E A -2.2767
3 P A -1.5200
4 P A -1.4314
5 P A -1.4301
6 G A -1.5838
7 K A -2.4237
8 P A -1.9815
9 A A -1.9670
10 D A -3.0202
11 D A -2.4412
12 A A -0.8886
13 G A -0.0328
14 L A 1.7882
15 V A 2.3914
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Laboratory of Theory of Biopolymers 2018