Project name: GKGHKGH4

Status: done

Started: 2026-02-23 04:40:54
Settings
Chain sequence(s) A: GKGHKGH
C: GKGHKGH
B: GKGHKGH
D: GKGHKGH
input PDB
Selected Chain(s) A,C,B,D
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                                          (00:05:19)
[INFO]       Main:     Simulation completed successfully.                                          (00:05:20)
Show buried residues

Minimal score value
-4.8141
Maximal score value
0.0
Average score
-2.9951
Total score value
-83.8622

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 -3.1388
2 K A -3.5009
3 G A 0.0000
4 H A -4.2818
5 K A -4.8141
6 G A 0.0000
7 H A -3.5103
1 G B -1.8919
2 K B -3.4807
3 G B -3.0534
4 H B 0.0000
5 K B -4.3694
6 G B 0.0000
7 H B -3.4716
1 G C -3.0403
2 K C -4.1040
3 G C 0.0000
4 H C -4.2632
5 K C -4.6206
6 G C 0.0000
7 H C -4.4221
1 G D -2.7105
2 K D -4.3058
3 G D -3.4481
4 H D -4.5469
5 K D -4.3787
6 G D -4.0710
7 H D -4.4381
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Laboratory of Theory of Biopolymers 2018