Project name: d6c126e5e5e7ca3

Status: done

Started: 2026-06-27 18:08:44
Settings
Chain sequence(s) A: LRLSLCVSVCLQVETAPIVDSWATEIIHRAKRSLLWRWNTLKPVGAGCRDNYECGTNYCR
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                                          (00:00:49)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:50)
Show buried residues

Minimal score value
-2.5333
Maximal score value
2.3505
Average score
0.0268
Total score value
1.6078

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
2 L A 1.3943
3 R A -0.3643
4 L A 1.6690
5 S A 1.2469
6 L A 1.2399
7 C A 1.8287
8 V A 2.3505
9 S A 1.5234
10 V A 1.5489
11 C A 1.8117
12 L A 1.6748
13 Q A 0.3306
14 V A 0.3917
15 E A -0.9807
16 T A -0.5850
17 A A -0.1271
18 P A -0.1137
19 I A 0.5686
20 V A 1.1615
21 D A -0.7947
22 S A -0.2097
23 W A 0.7364
24 A A 0.3134
25 T A -0.0794
26 E A -0.6334
27 I A 0.0000
28 I A 0.2658
29 H A -1.1871
30 R A -1.4796
31 A A -0.8993
32 K A -2.5333
33 R A -2.2243
34 S A -0.6816
35 L A 0.6516
36 L A 1.4591
37 W A 0.3961
38 R A 0.2104
39 W A 1.1302
40 N A -0.2429
41 T A -0.0420
42 L A 0.1030
43 K A -0.5871
44 P A 0.0728
45 V A 1.0731
46 G A -0.0990
47 A A -0.3022
48 G A -1.1223
49 C A -1.3113
50 R A -2.4127
51 D A -1.6631
52 N A -0.8456
53 Y A -0.5863
54 E A 0.0000
55 C A 0.0000
56 G A 0.1257
57 T A 0.2116
58 N A 0.0382
59 Y A 0.6680
60 C A -0.7598
61 R A -1.7206
Download PDB file
View in 3Dmol
Play the video

Laboratory of Theory of Biopolymers 2018