Project name: 4628549c69719ce

Status: done

Started: 2024-06-18 14:05:03
Settings
Chain sequence(s) B: LANFLVHSGNNFGAILSSTNVGSNTY
input PDB
Selected Chain(s) B
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 B 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                                          (00:00:06)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:07)
Show buried residues

Minimal score value
-1.9141
Maximal score value
2.8611
Average score
0.4996
Total score value
12.9901

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 B 1.8433
13 A B 1.3679
14 N B 0.3707
15 F B 2.5758
16 L B 2.7646
17 V B 1.9173
18 H B -0.5597
19 S B -1.0035
20 G B -1.7009
21 N B -1.9141
22 N B -1.0294
23 F B 1.0198
24 G B 0.6589
25 A B 1.4487
26 I B 2.8611
27 L B 2.3584
28 S B 0.7073
29 S B -0.1027
30 T B 0.1601
31 N B -0.4369
32 V B 1.0035
33 G B -0.2925
34 S B -0.7041
35 N B -1.2050
36 T B -0.0986
37 Y B 0.9801
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Laboratory of Theory of Biopolymers 2018