Project name: 709dfd921c509a

Status: done

Started: 2025-02-24 07:56:46
Settings
Chain sequence(s) A: HGEGTFTSDLSKQMEEEAVRLFIEWLKNGGPSSGAPPPS
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                                          (00:00:52)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:52)
Show buried residues

Minimal score value
-3.2907
Maximal score value
0.8202
Average score
-1.044
Total score value
-40.7141

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 -1.1966
2 G A -1.1785
3 E A -1.8610
4 G A -1.2665
5 T A -0.5224
6 F A 0.5997
7 T A -0.3041
8 S A -0.9701
9 D A -1.6976
10 L A -0.0718
11 S A -1.4280
12 K A -3.1995
13 Q A -2.5921
14 M A -1.8401
15 E A -3.2907
16 E A -3.1109
17 E A -2.2214
18 A A -1.0995
19 V A -0.1892
20 R A -1.4146
21 L A -0.0821
22 F A 0.8202
23 I A 0.2842
24 E A -1.5291
25 W A -0.6575
26 L A -0.4560
27 K A -2.0290
28 N A -2.1805
29 G A -1.4102
30 G A 0.0000
31 P A -0.6433
32 S A -0.6858
33 S A -1.0226
34 G A -0.8971
35 A A -0.6745
36 P A -0.5901
37 P A -0.1465
38 P A 0.0276
39 S A 0.0131
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Laboratory of Theory of Biopolymers 2018