Project name: 59f5ead1f46d016

Status: done

Started: 2026-06-25 04:11:47
Settings
Chain sequence(s) A: FVNQHLCGSHLVEALYLVCGERGFFYTKPAAKGIVEQCCTSICSLYQLENYCN
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                                          (00:01:43)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:43)
Show buried residues

Minimal score value
-2.5101
Maximal score value
2.7869
Average score
-0.1002
Total score value
-5.3103

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 F A 2.7869
2 V A 2.0949
3 N A 0.1954
4 Q A -0.1984
5 H A -0.3192
6 L A -0.1615
7 C A 0.0468
8 G A -0.3816
9 S A -0.6967
10 H A -1.0878
11 L A 0.0000
12 V A 0.4837
13 E A -0.9130
14 A A 0.4883
15 L A 0.0000
16 Y A 0.6758
17 L A 1.6297
18 V A 1.1707
19 C A 0.0000
20 G A -1.0026
21 E A -2.4358
22 R A -2.5101
23 G A -0.7633
24 F A 0.4989
25 F A 1.6591
26 Y A 1.0857
27 T A -0.4855
28 K A -1.7109
29 P A -1.3080
30 A A -1.0006
31 A A -1.0326
32 K A -1.4793
33 G A -1.1098
34 I A 0.0000
35 V A 0.1234
36 E A -0.7837
37 Q A -0.4490
38 C A 0.0000
39 C A 0.1988
40 T A 0.1584
41 S A 0.3254
42 I A 1.2088
43 C A 0.0000
44 S A 1.0442
45 L A 1.5524
46 Y A 1.0499
47 Q A -0.1259
48 L A 0.0000
49 E A -0.8866
50 N A -1.1733
51 Y A -0.0937
52 C A 0.0000
53 N A -1.6786
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Laboratory of Theory of Biopolymers 2018