Project name: 25774fa179850e4

Status: done

Started: 2026-05-20 10:39:47
Settings
Chain sequence(s) A: GESTVSVTVSVCPEGWSECGVAIYGYACGRWGCGHFLNSGPNISPSVTESVTEGSE
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]                                                (00:00:07)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:07)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:07)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:07)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:07)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:26)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:27)
Show buried residues

Minimal score value
-2.9479
Maximal score value
2.3163
Average score
-0.0946
Total score value
-5.2957

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 G A -2.0982
2 E A -2.9479
3 S A -1.4520
4 T A -0.3055
5 V A 1.0398
6 S A 0.9251
7 V A 1.7436
8 T A 1.0794
9 V A 2.0239
10 S A 1.6316
11 V A 1.8198
12 C A 0.0344
13 P A -1.0952
14 E A -2.0497
15 G A -1.7126
16 W A -1.1804
17 S A -1.4192
18 E A -1.6903
19 C A 0.0000
20 G A 0.5457
21 V A 1.1916
22 A A 1.3925
23 I A 2.3163
24 Y A 1.6495
25 G A 1.0336
26 Y A 0.5654
27 A A 0.0000
28 C A 0.0000
29 G A 0.0000
30 R A -1.9211
31 W A -0.0471
32 G A -0.4073
33 C A 0.0308
34 G A 0.4267
35 H A -0.0474
36 F A 1.4331
37 L A 0.7277
38 N A -0.6685
39 S A -0.6437
40 G A -0.4010
41 P A -0.9330
42 N A -1.0721
43 I A 0.2458
44 S A 0.2601
45 P A 0.9034
46 S A 1.1792
47 V A 1.9994
48 T A 0.4561
49 E A -0.4181
50 S A 0.0202
51 V A 0.9078
52 T A -0.6424
53 E A -2.3526
54 G A -2.6154
55 S A -2.2207
56 E A -2.5368
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Laboratory of Theory of Biopolymers 2018