Project name: GHKGHKS8

Status: done

Started: 2026-05-21 12:18:59
Settings
Chain sequence(s) A: GHKGHKS
C: GHKGHKS
B: GHKGHKS
E: GHKGHKS
D: GHKGHKS
G: GHKGHKS
F: GHKGHKS
H: GHKGHKS
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                                          (00:01:24)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:25)
Show buried residues

Minimal score value
-4.0649
Maximal score value
-1.27
Average score
-2.7731
Total score value
-155.2923

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 -2.7382
2 H A -3.5660
3 K A -3.6821
4 G A -3.1770
5 H A -2.7409
6 K A -2.6510
7 S A -1.3603
1 G B -1.5017
2 H B -2.2943
3 K B -3.1269
4 G B -2.9519
5 H B -3.5553
6 K B -3.0962
7 S B -1.9610
1 G C -2.1023
2 H C -3.4307
3 K C -4.0649
4 G C -3.7005
5 H C -3.2444
6 K C -3.1131
7 S C -1.5832
1 G D -2.0401
2 H D -2.3107
3 K D -2.9974
4 G D -2.6349
5 H D -2.6320
6 K D -2.8582
7 S D -1.3688
1 G E -2.0723
2 H E -2.3425
3 K E -3.2073
4 G E -2.6242
5 H E -2.7527
6 K E -2.6675
7 S E -1.2700
1 G F -1.5100
2 H F -2.6435
3 K F -3.3886
4 G F -3.3171
5 H F -3.2755
6 K F -3.0544
7 S F -1.8403
1 G G -2.9888
2 H G -3.0857
3 K G -3.6970
4 G G -3.1734
5 H G -3.3513
6 K G -3.5897
7 S G -2.3837
1 G H -3.7171
2 H H -3.5445
3 K H -3.7971
4 G H -2.7787
5 H H -2.7966
6 K H -2.5974
7 S H -1.3414
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Laboratory of Theory of Biopolymers 2018