Project name: f67d74a311f89a8

Status: done

Started: 2026-06-25 04:14:41
Settings
Chain sequence(s) A: FVNQHLCGSHLVEALYLVCGERGFFYTKPTREAEDRGIVEQCCTSICSLYQLENYCN
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             (00:00:01)
[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                                          (00:02:09)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:09)
Show buried residues

Minimal score value
-3.6062
Maximal score value
2.7114
Average score
-0.6154
Total score value
-35.0772

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 2.7114
12 V A 2.5562
13 N A 1.3644
14 Q A 0.1161
15 H A -0.9313
16 L A -0.6073
17 C A -0.6737
18 G A -0.9116
19 S A -0.9328
20 H A -1.5438
21 L A 0.0000
22 V A -0.0954
23 E A -1.4468
24 A A 0.3226
25 L A 0.0000
26 Y A 0.1429
27 L A 1.4536
28 V A 1.0524
29 C A -0.2668
30 G A -1.0338
31 E A -2.3838
32 R A -2.3144
33 G A -0.7921
34 F A 1.0456
35 F A 0.3418
36 Y A 0.3090
37 T A -0.1285
38 K A -1.1360
39 P A -1.4844
40 T A -2.3426
41 R A -3.5279
42 E A -3.6062
43 A A -2.5199
44 E A -2.8129
45 D A -3.2253
46 R A -3.2165
47 G A -2.1798
48 I A -0.9558
49 V A -0.8789
50 E A -1.8344
51 Q A -0.9180
52 C A 0.0000
53 C A -0.4931
54 T A -0.3260
55 S A 0.1311
56 I A 1.5304
57 C A 0.9949
58 S A 0.7601
59 L A 1.3458
60 Y A 0.8922
61 Q A -0.3531
62 L A 0.0000
63 E A -1.1575
64 N A -1.7523
65 Y A -1.1823
66 C A -0.7835
67 N A -1.3992
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Laboratory of Theory of Biopolymers 2018