Project name: 8f7db7d7c24c273

Status: done

Started: 2026-05-15 05:40:17
Settings
Chain sequence(s) A: SIVHQKAHTSVTCPEGWSECGVAIYGYAFCGRWGCGHFLNSGPNISPYVTTDAYEWYVDAW
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                                          (00:00:32)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:33)
Show buried residues

Minimal score value
-1.8704
Maximal score value
2.9874
Average score
0.2961
Total score value
18.06

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 S A 1.3698
2 I A 2.4700
3 V A 2.2585
4 H A 0.0183
5 Q A -0.8803
6 K A -1.6835
7 A A -1.4074
8 H A -1.7359
9 T A -0.8999
10 S A 0.1217
11 V A 1.7404
12 T A 0.8638
13 C A 0.1064
14 P A -0.5735
15 E A -1.8704
16 G A -1.1457
17 W A -0.7125
18 S A -0.5005
19 E A -0.6811
20 C A 0.2846
21 G A 0.7583
22 V A 1.8382
23 A A 1.9702
24 I A 2.9874
25 Y A 2.5701
26 G A 1.5002
27 Y A 1.5839
28 A A 0.7123
29 F A 1.0592
30 C A 0.1012
31 G A -0.6803
32 R A -1.4823
33 W A -0.3250
34 G A 0.0000
35 C A 0.0000
36 G A 0.2812
37 H A 0.4814
38 F A 1.7079
39 L A 1.2361
40 N A -0.3811
41 S A -0.2719
42 G A -0.0281
43 P A 0.5122
44 N A 0.1988
45 I A 0.2510
46 S A -0.0311
47 P A 0.3350
48 Y A 1.4185
49 V A 1.4743
50 T A 0.7883
51 T A -0.2599
52 D A -1.6529
53 A A -1.0453
54 Y A -0.3724
55 E A -1.4300
56 W A 0.4570
57 Y A 0.7383
58 V A 1.5531
59 D A 0.0448
60 A A 0.8348
61 W A 1.4838
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Laboratory of Theory of Biopolymers 2018