Project name: 9816948920529fe

Status: done

Started: 2026-07-01 15:21:58
Settings
Chain sequence(s) B: MNVTISEELLPSGQAVTTLTALASELEPNTTLQLLSGGELVATAQVIISP
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with B chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:27)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:28)
Show buried residues

Minimal score value
-2.1893
Maximal score value
2.1182
Average score
-0.0886
Total score value
-4.4324

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 0.4740
2 N B -0.5678
3 V B 0.6370
4 T B 1.1149
5 I B 1.6371
6 S B -0.4116
7 E B -1.7584
8 E B -1.8905
9 L B 0.1142
10 L B -0.0840
11 P B -0.3731
12 S B -0.5357
13 G B -0.7158
14 Q B -0.9876
15 A B -0.5757
16 V B -0.3764
17 T B -0.1981
18 T B 0.1492
19 L B 1.2607
20 T B 0.9185
21 A B 0.7518
22 L B 0.9196
23 A B 0.2296
24 S B -0.8208
25 E B -1.4935
26 L B -1.0348
27 E B -2.1893
28 P B -1.3632
29 N B -1.0464
30 T B -1.0008
31 T B -0.8510
32 L B -0.3279
33 Q B -0.2184
34 L B 1.2440
35 L B 1.5414
36 S B 0.2512
37 G B -0.5956
38 G B -0.5900
39 E B -0.6940
40 L B 1.4274
41 V B 2.1182
42 A B 1.1200
43 T B 0.1954
44 A B -0.4335
45 Q B -0.9678
46 V B 0.1469
47 I B 1.1072
48 I B 0.3078
49 S B 0.1239
50 P B -0.1207
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Laboratory of Theory of Biopolymers 2018