Project name: 2e3ff1712e7c3f0

Status: done

Started: 2025-12-09 07:16:03
Settings
Chain sequence(s) L: KMSLATFDYNVYHTID
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                                          (00:00:17)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:18)
Show buried residues

Minimal score value
-1.5717
Maximal score value
1.6757
Average score
0.2399
Total score value
3.8379

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
103 K L -1.5717
104 M L 0.3574
105 S L 0.2520
106 L L 1.6266
107 A L 0.3263
108 T L 0.0954
109 F L 0.8329
110 D L -0.6256
111 Y L 0.8975
112 N L -0.8717
113 V L 0.8951
114 Y L 1.3968
115 H L -0.2344
116 T L 0.2103
117 I L 1.6757
118 D L -1.4247
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Laboratory of Theory of Biopolymers 2018