Project name: 7de692e4dbbf38a

Status: done

Started: 2026-01-28 10:55:48
Settings
Chain sequence(s) L: KDYEIFGGAEFAGD
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                                          (00:00:08)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:09)
Show buried residues

Minimal score value
-2.14
Maximal score value
2.2901
Average score
-0.2223
Total score value
-3.112

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 K L -2.1400
1 D L -1.9773
2 Y L 0.6845
3 E L -1.2267
4 I L 2.0395
5 F L 2.2901
6 G L 0.5276
7 G L -0.6685
8 A L -0.3679
9 E L -1.5088
10 F L 1.5850
11 A L 0.3056
12 G L -0.7821
13 D L -1.8730
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Laboratory of Theory of Biopolymers 2018