Project name: edbeb099102a0c6

Status: done

Started: 2026-07-01 15:22:08
Settings
Chain sequence(s) B: MSLTLSEELQPDGTGVLTLSGNTSELEPNTTLVWRSGGERVATATVIVTP
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                                          (00:00:14)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:14)
Show buried residues

Minimal score value
-3.21
Maximal score value
1.4099
Average score
-0.6385
Total score value
-31.9263

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 0.5199
2 S B -0.1527
3 L B 0.2843
4 T B 0.8470
5 L B 1.3388
6 S B -0.3752
7 E B -1.7065
8 E B -1.8775
9 L B -0.3867
10 Q B -1.2783
11 P B -1.4204
12 D B -2.1502
13 G B -1.2733
14 T B -0.8755
15 G B -0.8156
16 V B -0.0964
17 L B 0.3723
18 T B 0.1804
19 L B 0.9773
20 S B 0.2490
21 G B -0.4467
22 N B -1.2181
23 T B -1.0443
24 S B -1.5572
25 E B -2.3437
26 L B -1.6718
27 E B -2.2375
28 P B -1.2194
29 N B -0.7786
30 T B -0.5122
31 T B -0.0065
32 L B 0.2757
33 V B 0.0099
34 W B -0.5245
35 R B -2.6857
36 S B -2.0649
37 G B -1.8406
38 G B -2.3559
39 E B -3.2100
40 R B -2.6406
41 V B -0.1805
42 A B 0.0190
43 T B 0.1335
44 A B 0.5200
45 T B 0.4186
46 V B 0.7437
47 I B 1.4099
48 V B 0.4728
49 T B 0.2971
50 P B -0.0485
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Laboratory of Theory of Biopolymers 2018