Project name: Sup35_8

Status: done

Started: 2026-06-24 04:50:17
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Chain sequence(s) A: GNNQQNY
C: GNNQQNY
B: GNNQQNY
E: GNNQQNY
D: GNNQQNY
G: GNNQQNY
F: GNNQQNY
H: GNNQQNY
input PDB
Selected Chain(s) A,C,B,E,D,G,F,H
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                                          (00:00:34)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:36)
Show buried residues

Minimal score value
-3.7124
Maximal score value
0.8148
Average score
-2.113
Total score value
-118.329

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 -2.1843
2 N A -2.6814
3 N A -2.8421
4 Q A -2.9336
5 Q A -2.3910
6 N A -2.4286
7 Y A 0.0032
1 G B -2.8801
2 N B -2.6406
3 N B -2.8455
4 Q B -2.9135
5 Q B -2.1755
6 N B -1.8382
7 Y B 0.3567
1 G C 0.0000
2 N C 0.0000
3 N C -3.0431
4 Q C 0.0000
5 Q C -2.8117
6 N C -2.7614
7 Y C -0.6053
1 G D -2.5719
2 N D -3.4756
3 N D 0.0000
4 Q D -3.0285
5 Q D -2.4529
6 N D -1.2990
7 Y D 0.4501
1 G E -3.2687
2 N E -3.7124
3 N E -3.1349
4 Q E -2.6919
5 Q E -1.7528
6 N E -0.5363
7 Y E 0.8148
1 G F -2.8338
2 N F -3.5432
3 N F -3.5613
4 Q F -3.1481
5 Q F -2.5814
6 N F -1.7708
7 Y F 0.3250
1 G G -3.0980
2 N G -3.5007
3 N G -3.4294
4 Q G -3.3290
5 Q G -3.0203
6 N G -1.9267
7 Y G -0.0324
1 G H -2.0386
2 N H -2.8903
3 N H -3.3586
4 Q H -3.1622
5 Q H -2.5002
6 N H -2.4865
7 Y H -0.1665
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Laboratory of Theory of Biopolymers 2018