Project name: b1deacfe9afac4e

Status: done

Started: 2026-05-21 12:29:20
Settings
Chain sequence(s) A: FKGH
C: FKGH
B: FKGH
E: FKGH
D: FKGH
G: FKGH
F: FKGH
H: FKGH
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]                                                (00:00:00)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:00)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:37)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:38)
Show buried residues

Minimal score value
-2.0055
Maximal score value
3.6716
Average score
-0.1303
Total score value
-4.1695

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 3.6716
2 K A 0.0000
3 G A -0.3894
4 H A -1.9553
1 F B 3.0727
2 K B 0.5658
3 G B -0.4778
4 H B -1.9023
1 F C 2.5057
2 K C 0.0469
3 G C -0.7398
4 H C -1.6517
1 F D 1.9642
2 K D -1.2144
3 G D 0.0000
4 H D -1.8170
1 F E 1.3362
2 K E -1.0249
3 G E 0.0000
4 H E -1.8275
1 F F 1.7535
2 K F -1.3103
3 G F 0.0000
4 H F -1.8382
1 F G 1.6527
2 K G -1.2888
3 G G -1.1330
4 H G -1.7462
1 F H 2.3711
2 K H 0.0000
3 G H -0.7878
4 H H -2.0055
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Laboratory of Theory of Biopolymers 2018