Project name: 809ba11f5328f7c

Status: done

Started: 2025-12-11 04:30:22
Settings
Chain sequence(s) L: KPADMIHYGVTKD
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                                          (00:00:14)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:14)
Show buried residues

Minimal score value
-2.0941
Maximal score value
1.9092
Average score
-0.3097
Total score value
-4.0265

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
68 K L -1.7270
69 P L -0.4015
70 A L -0.2955
71 D L -1.7035
72 M L 0.4382
73 I L 1.9092
74 H L -0.4744
75 Y L 0.6543
76 G L 0.0000
77 V L 1.7599
78 T L -0.0584
79 K L -2.0337
80 D L -2.0941
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Laboratory of Theory of Biopolymers 2018