Project name: 358a9956ce2a103

Status: done

Started: 2024-04-18 23:29:52
Settings
Chain sequence(s) A: ARDWPSLYILDY
input PDB
Selected Chain(s) A
Distance of aggregation 10 Å
FoldX usage Yes
Dynamic mode No
Automated mutations No
Downloads Download all the data
Simulation log
[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:04)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:04)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:04)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:04)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:04)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:07)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:08)
Show buried residues

Minimal score value
-2.3746
Maximal score value
3.4728
Average score
0.7564
Total score value
9.0771

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
1 A A -1.1631
2 R A -2.3746
3 D A -2.1863
4 W A -0.1380
5 P A 0.1189
6 S A 1.1132
7 L A 2.9583
8 Y A 3.1342
9 I A 3.4728
10 L A 2.6047
11 D A 0.3614
12 Y A 1.1756
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Laboratory of Theory of Biopolymers 2018