Project name: 968d41f6c81c7fc

Status: done

Started: 2026-07-01 15:24:30
Settings
Chain sequence(s) B: GLTVWQQSPEVGQQLMQLALAEGELRIAWVSTSPSGSKERIAWATVRPVA
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                                          (00:00:27)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:28)
Show buried residues

Minimal score value
-3.1054
Maximal score value
2.244
Average score
-0.7912
Total score value
-39.5575

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 0.2513
2 L B 1.8029
3 T B 1.5711
4 V B 2.2440
5 W B 1.3764
6 Q B -0.7962
7 Q B -1.6401
8 S B -1.5826
9 P B -1.9513
10 E B -2.5466
11 V B -1.7234
12 G B -1.8892
13 Q B -2.3127
14 Q B -1.7268
15 L B -1.0003
16 M B -0.8640
17 Q B -0.9193
18 L B -0.4976
19 A B 0.0000
20 L B 0.2562
21 A B -0.4476
22 E B -2.3398
23 G B -1.6135
24 E B -2.6471
25 L B -1.9944
26 R B -2.1054
27 I B -0.2007
28 A B 0.1746
29 W B 0.7355
30 V B -0.2595
31 S B -1.1576
32 T B -1.5941
33 S B -1.1131
34 P B -0.7504
35 S B -0.7821
36 G B -1.2391
37 S B -1.6700
38 K B -2.9897
39 E B -3.1054
40 R B -2.0429
41 I B -0.1191
42 A B 0.6054
43 W B 0.9432
44 A B 0.0873
45 T B -1.1107
46 V B -1.1502
47 R B -1.9972
48 P B 0.0000
49 V B 1.3762
50 A B 0.8981
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Laboratory of Theory of Biopolymers 2018