Project name: 39f85086306f7dc

Status: done

Started: 2026-07-01 15:22:33
Settings
Chain sequence(s) B: MEVVSISRVFTPELNGQLFRFGFSSSPSDEALEASARANPEVFRLEAVPP
input PDB
Selected Chain(s) B
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 B 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                                          (00:00:20)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:21)
Show buried residues

Minimal score value
-3.0268
Maximal score value
2.3542
Average score
-0.5713
Total score value
-28.5627

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 M B 0.5752
2 E B -0.0948
3 V B 1.9005
4 V B 2.3542
5 S B 1.6330
6 I B 1.0144
7 S B -0.0606
8 R B -0.4377
9 V B 1.3697
10 F B 0.7616
11 T B -0.3262
12 P B -1.3174
13 E B -2.1373
14 L B -1.5846
15 N B -2.3717
16 G B -1.9377
17 Q B -1.4888
18 L B 0.2473
19 F B 0.4874
20 R B -0.7748
21 F B 0.3124
22 G B 0.0046
23 F B 1.7779
24 S B 0.2718
25 S B 0.1572
26 S B -0.4601
27 P B -0.7084
28 S B -1.7563
29 D B -2.9497
30 E B -3.0268
31 A B -1.6131
32 L B -1.0859
33 E B -2.5796
34 A B -1.6824
35 S B -0.9267
36 A B -1.3113
37 R B -2.3804
38 A B -1.2736
39 N B -1.3054
40 P B -1.2177
41 E B -1.6123
42 V B 0.3241
43 F B 0.4632
44 R B -1.4681
45 L B -1.3357
46 E B -1.9271
47 A B -0.4496
48 V B 1.0417
49 P B 0.2544
50 P B 0.0885
Download PDB file
View in 3Dmol
Play the video

Laboratory of Theory of Biopolymers 2018