Project name: 46b2f3b2ca1d0e4

Status: done

Started: 2026-06-27 15:34:51
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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]                                                (00:00:00)
[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                                          (00:00:26)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:28)
Show buried residues

Minimal score value
-2.5851
Maximal score value
2.1483
Average score
-0.726
Total score value
-40.6578

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 -1.6240
2 N A -1.8929
3 N A -1.7234
4 Q A 0.0000
5 Q A -0.6163
6 N A 0.0000
7 Y A 1.7380
1 G B -1.4915
2 N B -2.3983
3 N B -2.0003
4 Q B -1.9692
5 Q B -1.1397
6 N B -0.9058
7 Y B 1.1160
1 G C -1.2941
2 N C -1.8261
3 N C -1.6453
4 Q C -1.4972
5 Q C -0.7764
6 N C -0.2642
7 Y C 1.5786
1 G D -1.3676
2 N D -1.5249
3 N D -1.4234
4 Q D 0.0000
5 Q D -0.1688
6 N D 0.0000
7 Y D 2.1434
1 G E -1.5887
2 N E -1.9504
3 N E -1.8633
4 Q E 0.0000
5 Q E -0.3377
6 N E 0.0000
7 Y E 2.1483
1 G F -1.7363
2 N F -2.5385
3 N F -2.5851
4 Q F -1.9588
5 Q F -0.9713
6 N F -0.0276
7 Y F 1.5557
1 G G -1.3171
2 N G -1.7318
3 N G -2.0358
4 Q G 0.0000
5 Q G -1.0564
6 N G 0.0000
7 Y G 1.4830
1 G H -1.4568
2 N H -1.4888
3 N H -1.5595
4 Q H 0.0000
5 Q H -0.3251
6 N H 0.0000
7 Y H 1.6576
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Laboratory of Theory of Biopolymers 2018