Project name: 68d29d6e3ed9f43

Status: done

Started: 2025-12-11 04:28:07
Settings
Chain sequence(s) L: KSVLELLDKVPYHD
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                                          (00:00:26)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:26)
Show buried residues

Minimal score value
-1.9682
Maximal score value
1.8044
Average score
-0.3072
Total score value
-4.3004

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
647 K L -1.6941
648 S L -0.1983
649 V L 1.8044
650 L L 0.1939
651 E L -1.4714
652 L L 1.4537
653 L L 1.2757
654 D L -1.8660
655 K L -1.9578
656 V L 0.0274
657 P L 0.0803
658 Y L 1.0950
659 H L -1.0750
660 D L -1.9682
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Laboratory of Theory of Biopolymers 2018