Project name: 3dac3598aaecfaf

Status: done

Started: 2026-03-27 05:08:38
Settings
Chain sequence(s) B: VDNKFNKEMWIAWEEIRDLPNLNGWQMTAFIASLLDDPSQSANLLAEAKKLNDAQAPK
input PDB
Selected Chain(s) B
Distance of aggregation 10 Å
FoldX usage No
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]       runJob:   FoldX not utilized. Treating input pdb file as it was already optimized.    (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:01)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:01)
Show buried residues

Minimal score value
-3.1083
Maximal score value
0.8669
Average score
-1.0863
Total score value
-63.0063

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
15 V B 0.4844
16 D B -1.9380
17 N B -2.3819
18 K B -2.1347
19 F B 0.0966
20 N B -1.2435
21 K B -1.9118
22 E B -1.7036
23 M B 0.0000
24 W B 0.8669
25 I B 0.3627
26 A B 0.0000
27 W B -0.0041
28 E B -1.3245
29 E B -1.6899
30 I B 0.0000
31 R B -2.5655
32 D B -2.8205
33 L B -2.1028
34 P B -1.6280
35 N B -1.5174
36 L B 0.0000
37 N B -1.3885
38 G B -0.6956
39 W B 0.6005
40 Q B -0.0876
41 M B -0.4843
42 T B 0.0837
43 A B 0.5056
44 F B 0.1596
45 I B 0.2807
46 A B -0.0694
47 S B -0.5783
48 L B 0.0000
49 L B -0.1713
50 D B -2.4915
51 D B -2.2805
52 P B 0.0000
53 S B -1.5649
54 Q B -1.3829
55 S B 0.0000
56 A B -1.1086
57 N B -1.7497
58 L B -1.2729
59 L B -1.0646
60 A B -1.7204
61 E B -2.4347
62 A B 0.0000
63 K B -2.8456
64 K B -3.1083
65 L B -1.8805
66 N B -2.3208
67 D B -2.7203
68 A B -1.5596
69 Q B -1.7808
70 A B -1.3716
71 P B -1.4783
72 K B -1.8693
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Laboratory of Theory of Biopolymers 2018