Project name: GGGHKGG4

Status: done

Started: 2026-02-23 06:25:47
Settings
Chain sequence(s) A: GGGHKGG
C: GGGHKGG
B: GGGHKGG
D: GGGHKGG
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                                          (00:00:36)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:37)
Show buried residues

Minimal score value
-3.8489
Maximal score value
-1.1156
Average score
-2.4447
Total score value
-68.4503

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 -1.9995
2 G A -1.8978
3 G A -2.7459
4 H A -2.5719
5 K A -3.1159
6 G A -1.8444
7 G A -1.1156
1 G B -1.7791
2 G B -2.2832
3 G B -2.8116
4 H B -3.0658
5 K B -2.9176
6 G B -2.0772
7 G B -1.1946
1 G C -2.0984
2 G C -2.2900
3 G C -2.7098
4 H C -3.7472
5 K C -3.8489
6 G C -3.1217
7 G C -1.9257
1 G D -1.3676
2 G D -2.0946
3 G D -2.5551
4 H D -3.5805
5 K D -3.7894
6 G D -2.6090
7 G D -1.2923
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Laboratory of Theory of Biopolymers 2018