Project name: 6647b77a88b0800

Status: done

Started: 2026-04-14 17:19:29
Settings
Chain sequence(s) A: DTNIFQWVTMDQQAQ
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                                          (00:00:05)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:05)
Show buried residues

Minimal score value
-2.5239
Maximal score value
2.5061
Average score
-0.16
Total score value
-2.4003

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 D A -1.9128
2 T A -0.6931
3 N A -0.4057
4 I A 1.9154
5 F A 2.5061
6 Q A 1.2007
7 W A 2.3391
8 V A 2.2638
9 T A 0.7705
10 M A 0.1475
11 D A -2.0248
12 Q A -2.4881
13 Q A -2.5239
14 A A -1.7971
15 Q A -1.6979
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Laboratory of Theory of Biopolymers 2018