Project name: d489cfe65620a00

Status: done

Started: 2026-04-17 06:41:57
Settings
Chain sequence(s) A: GIVEQCCTSICSLYQLENYCN
B: FVNQHLCGSHLVVEALYLVCGERRGFFYTPKA
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]                                                (00:00:00)
[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 all 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                                          (00:00:27)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:28)
Show buried residues

Minimal score value
-2.3379
Maximal score value
1.5867
Average score
-0.3316
Total score value
-16.9093

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 -1.3084
2 I A 0.0000
3 V A -1.1232
4 E A -1.7635
5 Q A -1.1342
6 C A 0.0000
7 C A -0.5915
8 T A -0.4906
9 S A -0.1042
10 I A 0.5879
11 C A 0.0000
12 S A 0.6629
13 L A 1.2864
14 Y A 1.1282
15 Q A -0.1174
16 L A 0.0000
17 E A -1.1423
18 N A -1.3781
19 Y A -0.5438
20 C A -1.0683
21 N A -1.8024
1 F B 1.3016
2 V B 0.7202
3 N B -0.4726
4 Q B -0.6861
5 H B -0.7163
6 L B 0.0000
7 C B -0.7857
8 G B -0.6080
9 S B -1.0840
10 H B -1.2940
11 L B 0.0000
12 V B 0.1396
13 E B -0.9422
14 A B 0.0000
15 L B 0.0000
16 Y B 1.0862
17 L B 1.3164
18 V B 0.5721
19 C B 0.0000
20 G B -0.9127
21 E B -2.3379
22 R B -2.2895
23 G B -0.6876
24 F B 0.2810
25 F B 1.5867
26 Y B 1.2660
27 T B 0.0708
28 P B -0.8487
29 K B -1.6706
30 A B -1.0115
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Laboratory of Theory of Biopolymers 2018