Project name: 8bca20288fc3562

Status: done

Started: 2025-12-11 04:30:24
Settings
Chain sequence(s) L: KMYEYLIHND
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.                                          (00:00:16)
Show buried residues

Minimal score value
-2.0175
Maximal score value
2.1198
Average score
0.1025
Total score value
1.0249

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
98 K L -1.5082
99 M L 1.1183
100 Y L 1.2765
101 E L -0.8043
102 Y L 1.1987
103 L L 2.1198
104 I L 2.1167
105 H L -0.7027
106 N L -1.7724
107 D L -2.0175
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Laboratory of Theory of Biopolymers 2018