Project name: ab61219bc7251bc

Status: done

Started: 2026-07-01 15:23:18
Settings
Chain sequence(s) B: TSTRFRFEFLDSSGNVLSSQDFTIVGPPQISNVSISYVSPSTVQVTLTLL
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                                          (00:00:12)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:13)
Show buried residues

Minimal score value
-2.6825
Maximal score value
2.4803
Average score
0.3659
Total score value
18.2975

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 T B 0.2661
2 S B 0.1504
3 T B -0.3654
4 R B -1.6181
5 F B -1.3394
6 R B -2.6757
7 F B 0.0000
8 E B -0.9125
9 F B 1.2140
10 L B 1.7004
11 D B 0.2436
12 S B -0.3723
13 S B -0.6309
14 G B -0.3430
15 N B -0.0655
16 V B 2.0206
17 L B 2.2441
18 S B 0.8832
19 S B -0.7578
20 Q B -2.1563
21 D B -2.6825
22 F B -0.3397
23 T B -0.0607
24 I B 1.0258
25 V B 1.5839
26 G B 0.7121
27 P B 0.3310
28 P B -0.2735
29 Q B -0.4375
30 I B 0.6704
31 S B 0.1480
32 N B -0.3305
33 V B 1.2748
34 S B 1.0080
35 I B 2.4803
36 S B 1.6390
37 Y B 2.3004
38 V B 2.3169
39 S B 0.8674
40 P B 0.2761
41 S B 0.1749
42 T B 0.5031
43 V B 1.2746
44 Q B 0.5247
45 V B 1.2166
46 T B 0.6042
47 L B 0.9191
48 T B 0.5856
49 L B 1.1123
50 L B 1.3872
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Laboratory of Theory of Biopolymers 2018