Project name: 249341e460d4264

Status: done

Started: 2026-06-25 04:28:24
Settings
Chain sequence(s) A: FVNQHLCGSHLVEALYLVCGERGFFYTKPTGGGPRRGIVEQCCTSICSLYQLENYCN
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                                          (00:01:40)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:41)
Show buried residues

Minimal score value
-2.7002
Maximal score value
2.7978
Average score
-0.3988
Total score value
-22.7289

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
11 F A 2.7978
12 V A 2.1651
13 N A 0.2361
14 Q A -0.1917
15 H A -0.6198
16 L A 0.0000
17 C A -0.4896
18 G A -0.7066
19 S A -0.7361
20 H A -1.3024
21 L A 0.0000
22 V A 0.2674
23 E A -0.9266
24 A A 0.0000
25 L A 0.0000
26 Y A 0.9239
27 L A 1.8744
28 V A 1.5568
29 C A -0.1807
30 G A -0.7359
31 E A -1.7894
32 R A -1.7043
33 G A -0.2120
34 F A 1.7364
35 F A 2.1031
36 Y A 1.2673
37 T A 0.5306
38 K A 0.0171
39 P A -0.7441
40 T A -1.2296
41 G A -1.5964
42 G A -1.7591
43 G A -1.7558
44 P A -1.6296
45 R A -2.7002
46 R A -2.6332
47 G A -1.9318
48 I A -1.4747
49 V A -1.0595
50 E A -2.1553
51 Q A -1.3614
52 C A 0.0000
53 C A -0.5160
54 T A -0.4445
55 S A -0.2705
56 I A 0.6422
57 C A 0.0000
58 S A 0.6708
59 L A 1.1834
60 Y A 0.6105
61 Q A -0.3830
62 L A 0.0000
63 E A -1.5418
64 N A -2.1070
65 Y A -1.4551
66 C A -0.9632
67 N A -2.0049
Download PDB file
View in 3Dmol
Play the video

Laboratory of Theory of Biopolymers 2018