Project name: e97acd102e1ff77

Status: done

Started: 2026-06-25 04:17:26
Settings
Chain sequence(s) A: FVNQHLCGSHLVEALYLVCGERGFFYTKPTREVEDRGIVEQCCTSICSLYQLENYCN
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                                          (00:02:12)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:13)
Show buried residues

Minimal score value
-3.285
Maximal score value
2.5912
Average score
-0.3694
Total score value
-21.0576

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 2.5912
12 V A 2.1889
13 N A 0.5666
14 Q A -0.0181
15 H A -0.4349
16 L A -0.4323
17 C A -0.4480
18 G A -0.4593
19 S A -0.5619
20 H A -1.1163
21 L A 0.0000
22 V A 1.0806
23 E A -0.6580
24 A A 0.6265
25 L A 0.0000
26 Y A 1.3332
27 L A 1.4730
28 V A 0.9937
29 C A 0.1571
30 G A -0.1545
31 E A -0.9705
32 R A -0.6207
33 G A 0.0132
34 F A 1.3747
35 F A 2.0319
36 Y A 1.5830
37 T A 0.3359
38 K A -1.2520
39 P A -1.3106
40 T A -2.2363
41 R A -3.2850
42 E A -2.8405
43 V A -1.7338
44 E A -2.3553
45 D A -2.4860
46 R A -2.4549
47 G A -1.8127
48 I A -0.9894
49 V A -0.6852
50 E A -1.9418
51 Q A -1.4117
52 C A 0.0000
53 C A -0.2993
54 T A -0.2452
55 S A 0.2197
56 I A 1.2648
57 C A 0.0000
58 S A 0.6170
59 L A 0.8617
60 Y A 0.4593
61 Q A -0.3561
62 L A 0.0000
63 E A -1.7435
64 N A -1.8027
65 Y A -0.8256
66 C A -1.1330
67 N A -1.7545
Download PDB file
View in 3Dmol
Play the video

Laboratory of Theory of Biopolymers 2018