Project name: a6816d3ad7f37d0

Status: done

Started: 2025-12-09 11:56:37
Settings
Chain sequence(s) L: KLPVGEPVDLMTD
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                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:11)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:12)
Show buried residues

Minimal score value
-1.9506
Maximal score value
1.6658
Average score
-0.1141
Total score value
-1.4831

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
137 K L -1.5523
138 L L 0.4511
139 P L 0.3408
140 V L 1.6658
141 G L -0.4760
142 E L -1.9506
143 P L -0.4323
144 V L 0.5435
145 D L -0.8835
146 L L 1.4977
147 M L 1.3191
148 T L -0.2042
149 D L -1.8022
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Laboratory of Theory of Biopolymers 2018