Project name: ll3,7

Status: done

Started: 2025-02-14 06:08:53
Settings
Chain sequence(s) A: FKRIVQRIKDFLR
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]                                                (00:00:00)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:00)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:19)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:20)
Show buried residues

Minimal score value
-2.0856
Maximal score value
1.294
Average score
-0.6264
Total score value
-7.5166

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 F A 1.0486
2 K A -1.4935
3 R A -1.8603
4 I A -0.2569
5 V A -0.5746
6 Q A -1.8679
7 R A -2.0856
8 I A -0.0600
9 K A -1.3299
10 D A -1.4535
11 F A 1.1230
12 L A 1.2940
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Laboratory of Theory of Biopolymers 2018