Project name: 20771f0cc66fa03

Status: done

Started: 2026-07-01 15:24:01
Settings
Chain sequence(s) B: GVEMLTLVSRGTVGPVTSLSVSDEGPVGTLTVTQRWVQGSVEAWLETRTF
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                                          (00:00:18)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:19)
Show buried residues

Minimal score value
-2.5209
Maximal score value
2.2786
Average score
0.1469
Total score value
7.3441

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 G B 0.4214
2 V B 1.2179
3 E B -0.5404
4 M B 0.6494
5 L B 1.5422
6 T B 1.1324
7 L B 1.4485
8 V B 0.3702
9 S B -0.6764
10 R B -2.1625
11 G B -1.4885
12 T B -0.4495
13 V B 0.4153
14 G B 0.0000
15 P B 0.4952
16 V B 1.6585
17 T B 0.6221
18 S B 1.0656
19 L B 2.2786
20 S B 1.4993
21 V B 1.3268
22 S B -0.6842
23 D B -2.2592
24 E B -2.5209
25 G B -1.4909
26 P B -0.4145
27 V B 0.3577
28 G B -0.8077
29 T B -0.0525
30 L B 1.2913
31 T B 1.0496
32 V B 1.3477
33 T B 0.5556
34 Q B 0.5379
35 R B -0.5751
36 W B 0.8682
37 V B 0.7588
38 Q B -0.6847
39 G B -0.7490
40 S B -0.8244
41 V B -0.8417
42 E B -1.7841
43 A B -0.4199
44 W B 0.6276
45 L B 1.7558
46 E B 0.5878
47 T B -0.0857
48 R B -0.6807
49 T B 0.1102
50 F B 1.5450
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Laboratory of Theory of Biopolymers 2018