Project name: try

Status: done

Started: 2026-06-19 19:11:29
Settings
Chain sequence(s) A: HSQGTFTSDYSKYLDSRRAQDFVQWLMNT
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                                          (00:00:31)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:32)
Show buried residues

Minimal score value
-3.8709
Maximal score value
2.1327
Average score
-0.8652
Total score value
-25.0913

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 H A -1.3473
2 S A -1.3314
3 Q A -1.3788
4 G A -0.4527
5 T A -0.0285
6 F A 1.0631
7 T A 0.1340
8 S A -0.7120
9 D A -1.3812
10 Y A -0.0517
11 S A -1.2077
12 K A -2.5724
13 Y A -1.5050
14 L A -1.9833
15 D A -3.7197
16 S A -2.8288
17 R A -3.8709
18 R A -3.8141
19 A A -2.0414
20 Q A -2.4635
21 D A -2.0148
22 F A 0.9928
23 V A 1.3728
24 Q A 0.2445
25 W A 1.6544
26 L A 2.1327
27 M A 1.4807
28 N A 0.1709
29 T A 0.3680
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Laboratory of Theory of Biopolymers 2018