Project name: FEFEFEGGGKGH2

Status: done

Started: 2026-02-10 03:10:38
Settings
Chain sequence(s) A: FEFEFEGGGKGH
B: FEFEFEGGGKGH
input PDB
Selected Chain(s) A,B
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                                          (00:00:19)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:20)
Show buried residues

Minimal score value
-3.0456
Maximal score value
1.4156
Average score
-1.2818
Total score value
-30.7622

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 F A 1.4156
2 E A -0.4530
3 F A 1.0426
4 E A -1.3799
5 F A -0.4155
6 E A -2.7730
7 G A 0.0000
8 G A -2.5618
9 G A -2.4747
10 K A -2.9738
11 G A -1.8690
12 H A -1.5691
1 F B 1.4141
2 E B -0.2333
3 F B 1.2234
4 E B -1.0943
5 F B 0.1166
6 E B -2.6164
7 G B -2.8275
8 G B -2.9621
9 G B -3.0070
10 K B -3.0456
11 G B -1.9875
12 H B -1.7310
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Laboratory of Theory of Biopolymers 2018