Project name: FEFEFEGGGKGH4

Status: done

Started: 2026-02-10 03:15:34
Settings
Chain sequence(s) A: FEFEFEGGGKGH
C: FEFEFEGGGKGH
B: FEFEFEGGGKGH
D: FEFEFEGGGKGH
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                                          (00:01:29)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:30)
Show buried residues

Minimal score value
-4.6393
Maximal score value
1.7699
Average score
-1.6377
Total score value
-78.6112

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 1.6953
2 E A -0.7830
3 F A 0.6111
4 E A -2.0504
5 F A 0.0000
6 E A -3.3371
7 G A 0.0000
8 G A 0.0000
9 G A -3.8993
10 K A -4.4952
11 G A -3.0370
12 H A -2.8268
1 F B 1.7699
2 E B -0.0956
3 F B 1.2276
4 E B -1.3338
5 F B -1.3369
6 E B -3.3009
7 G B 0.0000
8 G B 0.0000
9 G B -3.6770
10 K B -3.8017
11 G B -2.5858
12 H B -2.2219
1 F C 1.5657
2 E C -0.8496
3 F C 0.0112
4 E C -1.7684
5 F C -0.7328
6 E C -3.0143
7 G C -3.4372
8 G C -3.4874
9 G C -3.5854
10 K C -4.6393
11 G C -3.1173
12 H C -2.5779
1 F D 1.2855
2 E D -0.9142
3 F D -0.1828
4 E D -1.7651
5 F D -0.8964
6 E D -3.0319
7 G D -3.2951
8 G D 0.0000
9 G D -2.6223
10 K D -3.6119
11 G D -2.4875
12 H D -1.9783
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Laboratory of Theory of Biopolymers 2018