Project name: cbb04879fd54067

Status: done

Started: 2026-03-20 07:07:48
Settings
Chain sequence(s) A: GIVEQCCTSICSLYQLENYCN
B: FVNQHLCGSHLVEALYLVCGERGFFYTPKA
input PDB
Selected Chain(s) A,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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:36)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:36)
Show buried residues

Minimal score value
-2.363
Maximal score value
1.5525
Average score
-0.371
Total score value
-18.9199

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 -1.3383
2 I A 0.0000
3 V A -0.9227
4 E A -1.9538
5 Q A -1.2303
6 C A 0.0000
7 C A -0.6166
8 T A -0.5033
9 S A -0.1378
10 I A 0.5519
11 C A 0.0000
12 S A 0.4636
13 L A 1.0291
14 Y A 0.8922
15 Q A -0.4890
16 L A 0.0000
17 E A -1.2392
18 N A -1.5219
19 Y A 0.0000
20 C A -1.1510
21 N A -1.8317
1 F B 1.5525
2 V B 0.6251
3 N B -0.5664
4 Q B -0.7768
5 H B -0.7878
6 L B 0.0000
7 C B -0.7938
8 G B -0.7036
9 S B -1.1218
10 H B -1.3428
11 L B 0.0000
12 V B 0.0978
13 E B -1.1333
14 A B 0.0000
15 L B 0.0000
16 Y B 1.1012
17 L B 1.4679
18 V B 0.8005
19 C B 0.0000
20 G B -0.9708
21 E B -2.3630
22 R B -2.3263
23 G B -0.8207
24 F B 0.2231
25 F B 1.4780
26 Y B 1.0649
27 T B -0.0095
28 P B -0.9018
29 K B -1.8833
30 A B -0.8304
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Laboratory of Theory of Biopolymers 2018