Project name: df7a957b4bce676

Status: done

Started: 2024-06-18 14:04:09
Settings
Chain sequence(s) A: LANFLVHSGNNFGAILSSTNVGSNTY
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]                                                (00:00:01)
[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 A 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                                          (00:00:06)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:06)
Show buried residues

Minimal score value
-1.914
Maximal score value
2.8614
Average score
0.4997
Total score value
12.9915

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
12 L A 1.8431
13 A A 1.3677
14 N A 0.3707
15 F A 2.5756
16 L A 2.7645
17 V A 1.9174
18 H A -0.5597
19 S A -1.0035
20 G A -1.7009
21 N A -1.9140
22 N A -1.0296
23 F A 1.0198
24 G A 0.6588
25 A A 1.4494
26 I A 2.8614
27 L A 2.3588
28 S A 0.7075
29 S A -0.1026
30 T A 0.1605
31 N A -0.4366
32 V A 1.0034
33 G A -0.2926
34 S A -0.7040
35 N A -1.2051
36 T A -0.0987
37 Y A 0.9802
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Laboratory of Theory of Biopolymers 2018