Project name: SGHKGHK8

Status: done

Started: 2026-05-21 14:44:05
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Chain sequence(s) A: SGHKGHK
C: SGHKGHK
B: SGHKGHK
E: SGHKGHK
D: SGHKGHK
G: SGHKGHK
F: SGHKGHK
H: SGHKGHK
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                                          (00:02:02)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:04)
Show buried residues

Minimal score value
-4.3418
Maximal score value
0.0
Average score
-2.5335
Total score value
-141.8759

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 S A -2.4838
2 G A -2.4782
3 H A -3.1813
4 K A -3.6185
5 G A -3.8271
6 H A -3.3326
7 K A -2.8319
1 S B 0.0000
2 G B 0.0000
3 H B -3.6965
4 K B -4.3418
5 G B 0.0000
6 H B -3.4478
7 K B -3.1711
1 S C -2.1288
2 G C -2.9866
3 H C -3.2315
4 K C -4.1766
5 G C -3.4057
6 H C -3.2297
7 K C -3.5240
1 S D -0.6780
2 G D -1.2389
3 H D -2.4293
4 K D 0.0000
5 G D 0.0000
6 H D -3.8313
7 K D -4.1126
1 S E -1.3075
2 G E -2.2647
3 H E -2.9386
4 K E -3.7781
5 G E 0.0000
6 H E -3.0095
7 K E -3.0481
1 S F -1.9741
2 G F 0.0000
3 H F -3.3559
4 K F -4.0313
5 G F -3.0318
6 H F 0.0000
7 K F -3.5561
1 S G -1.5554
2 G G -2.8869
3 H G -3.3069
4 K G -4.1067
5 G G -3.0668
6 H G -3.5400
7 K G -3.7313
1 S H -1.3716
2 G H -1.6531
3 H H -2.3055
4 K H -2.8263
5 G H -2.4789
6 H H -2.5948
7 K H -2.7724
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Laboratory of Theory of Biopolymers 2018