Project name: 767345ce01cec54

Status: done

Started: 2026-03-26 08:33:47
Settings
Chain sequence(s) A: MIIEYDGEIDFTKGRVVLWFSIPGSPPSRL
input PDB
Selected Chain(s) A
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 A 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                                          (00:00:10)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:11)
Show buried residues

Minimal score value
-2.4428
Maximal score value
3.6311
Average score
0.2388
Total score value
7.1626

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 A 2.5103
2 I A 3.6311
3 I A 2.7211
4 E A -0.0495
5 Y A 0.1671
6 D A -2.0104
7 G A -2.1357
8 E A -2.4428
9 I A -1.2443
10 D A -1.7467
11 F A -0.4766
12 T A -1.1673
13 K A -2.2752
14 G A -1.7961
15 R A -1.4396
16 V A 0.9170
17 V A 3.1028
18 L A 3.6048
19 W A 3.3848
20 F A 3.3219
21 S A 1.6419
22 I A 1.7978
23 P A 0.1026
24 G A -0.5746
25 S A -0.2887
26 P A -0.6260
27 P A -0.6184
28 S A -0.1055
29 R A -1.2296
30 L A 0.4864
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Laboratory of Theory of Biopolymers 2018