Project name: 169fc9896b362a1

Status: done

Started: 2026-02-08 15:51:06
Settings
Chain sequence(s) L: CFLDTVPFDGDIAC
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]                                                (00:00:00)
[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 L 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                                          (00:00:04)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:04)
Show buried residues

Minimal score value
-1.7912
Maximal score value
2.4495
Average score
0.2855
Total score value
3.9971

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 1.1831
1 F L 2.4495
2 L L 1.4468
3 D L -1.4003
4 T L 0.1558
5 V L 1.7233
6 P L 0.3313
7 F L 1.0938
8 D L -1.5984
9 G L -1.1020
10 D L -1.7912
11 I L 0.1459
12 A L 0.2726
13 C L 1.0869
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Laboratory of Theory of Biopolymers 2018