Project name: d0d290a859fb951

Status: done

Started: 2026-06-04 08:44:29
Settings
Chain sequence(s) A: YADAIFTNSYRKVLGQLSARKLLQDIMSR
input PDB
Selected Chain(s) A
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 A 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                                          (00:00:00)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:01)
Show buried residues

Minimal score value
-1.6012
Maximal score value
1.7907
Average score
0.1153
Total score value
3.3431

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 Y A 1.3957
2 A A 0.7510
3 D A -0.3691
4 A A 0.7457
5 I A 1.7907
6 F A 1.7462
7 T A 0.1612
8 N A -0.6423
9 S A 0.2070
10 Y A 0.8985
11 R A -1.2821
12 K A -1.4367
13 V A 0.9046
14 L A 0.4519
15 G A -0.7951
16 Q A -0.9709
17 L A 0.3745
18 S A -0.2931
19 A A -0.5000
20 R A -1.6012
21 K A -1.3463
22 L A 0.9989
23 L A 1.4937
24 Q A -0.5184
25 D A -0.2356
26 I A 1.6774
27 M A 1.2063
28 S A -0.1484
29 R A -1.3210
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Laboratory of Theory of Biopolymers 2018