Project name: 1950d1c4670c55b

Status: done

Started: 2026-02-11 07:20:31
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Chain sequence(s) A: GKGHKGH
C: GKGHKGH
B: GKGHKGH
E: GKGHKGH
D: GKGHKGH
G: GKGHKGH
F: GKGHKGH
H: GKGHKGH
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]                                                (00:00:01)
[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                                          (00:03:10)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:13)
Show buried residues

Minimal score value
-3.2636
Maximal score value
0.0
Average score
-2.023
Total score value
-113.2874

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 -1.8076
2 K A -2.7163
3 G A -2.7703
4 H A -2.6497
5 K A -2.2184
6 G A -1.3340
7 H A -1.5627
1 G B -2.0276
2 K B -3.2636
3 G B -2.8475
4 H B -2.8250
5 K B -2.7663
6 G B -1.6990
7 H B -1.7747
1 G C -2.2200
2 K C -2.8049
3 G C 0.0000
4 H C -2.7683
5 K C 0.0000
6 G C -1.8354
7 H C -2.0718
1 G D -2.2218
2 K D -2.7929
3 G D 0.0000
4 H D -2.4523
5 K D -2.2891
6 G D -1.8101
7 H D -2.1343
1 G E -1.8270
2 K E -2.6427
3 G E 0.0000
4 H E -2.9233
5 K E -2.6462
6 G E -1.8934
7 H E -1.8549
1 G F -2.0756
2 K F -3.0964
3 G F -2.8583
4 H F -2.9320
5 K F -2.6982
6 G F -2.1483
7 H F -1.8834
1 G G -2.0646
2 K G -2.8965
3 G G 0.0000
4 H G -2.6855
5 K G -2.3749
6 G G -1.9046
7 H G -2.1203
1 G H -1.9892
2 K H -2.5800
3 G H 0.0000
4 H H -2.1603
5 K H 0.0000
6 G H -1.5235
7 H H -1.8447
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Laboratory of Theory of Biopolymers 2018