Project name: 2eba05c682b10e0

Status: done

Started: 2026-07-01 15:23:03
Settings
Chain sequence(s) B: TSTLFRLEFLDSSGNVIDSQTHTILGPAEITNVSISYTSPSTVQVTLTLA
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                                          (00:00:10)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:11)
Show buried residues

Minimal score value
-2.2585
Maximal score value
2.3156
Average score
0.2152
Total score value
10.7619

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 0.2621
2 S B 0.8179
3 T B 0.8326
4 L B 1.3489
5 F B -0.2798
6 R B -2.2309
7 L B -1.3356
8 E B -1.3069
9 F B 0.6415
10 L B 1.3042
11 D B -0.0784
12 S B -0.4741
13 S B -0.7277
14 G B -0.4357
15 N B -0.4073
16 V B 1.2735
17 I B 1.6464
18 D B -0.7936
19 S B -1.3086
20 Q B -2.2585
21 T B -1.3557
22 H B -0.5868
23 T B 0.5363
24 I B 1.2729
25 L B 1.6666
26 G B 0.4304
27 P B -0.0755
28 A B -0.1149
29 E B -1.2471
30 I B 0.5479
31 T B 0.0552
32 N B -0.1261
33 V B 1.9719
34 S B 1.2623
35 I B 2.3156
36 S B 1.1111
37 Y B 1.3468
38 T B 0.4536
39 S B 0.0043
40 P B -0.0772
41 S B -0.0986
42 T B 0.0194
43 V B 0.7059
44 Q B 0.0642
45 V B 1.2978
46 T B 0.8531
47 L B 1.1117
48 T B 0.4540
49 L B 0.5706
50 A B -0.0978
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Laboratory of Theory of Biopolymers 2018