Project name: FFGHKFG8

Status: done

Started: 2026-05-21 13:32:33
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Chain sequence(s) A: FFGHKFG
C: FFGHKFG
B: FFGHKFG
E: FFGHKFG
D: FFGHKFG
G: FFGHKFG
F: FFGHKFG
H: FFGHKFG
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                                          (00:10:04)
[INFO]       Main:     Simulation completed successfully.                                          (00:10:07)
Show buried residues

Minimal score value
-2.2083
Maximal score value
5.001
Average score
0.7771
Total score value
43.5199

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 5.0010
2 F A 3.6219
3 G A 0.7903
4 H A -0.4549
5 K A -0.0457
6 F A 1.4223
7 G A 0.4536
1 F B 4.0616
2 F B 3.7319
3 G B 0.0000
4 H B 0.0347
5 K B -0.1670
6 F B 1.5395
7 G B 0.3368
1 F C 3.2542
2 F C 2.6453
3 G C 0.4616
4 H C -0.2463
5 K C -1.1030
6 F C 0.7378
7 G C 0.1087
1 F D 4.5673
2 F D 0.0000
3 G D -0.4876
4 H D -1.2680
5 K D -2.2083
6 F D -0.7140
7 G D -0.7604
1 F E 0.0000
2 F E 2.9589
3 G E 0.6978
4 H E -0.4340
5 K E -1.2970
6 F E 1.5139
7 G E 0.4533
1 F F 4.2341
2 F F 2.6457
3 G F 0.2591
4 H F -1.0432
5 K F -1.9032
6 F F 1.1010
7 G F -0.0540
1 F G 4.0006
2 F G 1.7185
3 G G -0.0280
4 H G -1.0990
5 K G -1.6852
6 F G 0.8520
7 G G -0.2735
1 F H 4.3855
2 F H 2.9554
3 G H 0.7097
4 H H -0.6813
5 K H -1.9440
6 F H 0.6156
7 G H -0.4521
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Laboratory of Theory of Biopolymers 2018