Project name: 27c626b2fc7d58b

Status: done

Started: 2026-02-12 14:19:08
Settings
Chain sequence(s) A: FFKGHGG
C: FFKGHGG
B: FFKGHGG
E: FFKGHGG
D: FFKGHGG
G: FFKGHGG
F: FFKGHGG
I: FFKGHGG
H: FFKGHGG
K: FFKGHGG
J: FFKGHGG
L: FFKGHGG
input PDB
Selected Chain(s) A,C,B,E,D,G,F,I,H,K,J,L
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                                          (00:04:59)
[INFO]       Main:     Simulation completed successfully.                                          (00:05:02)
Show buried residues

Minimal score value
-2.2582
Maximal score value
2.4356
Average score
-0.3507
Total score value
-29.4597

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 1.2678
2 F A 0.0000
3 K A -1.4055
4 G A 0.0000
5 H A -1.5366
6 G A 0.0000
7 G A -0.2871
1 F B 1.4388
2 F B 0.0000
3 K B -1.9112
4 G B 0.0000
5 H B -1.6262
6 G B -0.2723
7 G B -0.1630
1 F C 2.0280
2 F C 0.4836
3 K C -1.5629
4 G C -1.9825
5 H C -1.9191
6 G C -0.6942
7 G C -0.5839
1 F D 1.5698
2 F D 0.0000
3 K D -1.3150
4 G D 0.0000
5 H D -1.7794
6 G D 0.0000
7 G D -0.5284
1 F E 1.4737
2 F E 0.0000
3 K E -1.1340
4 G E 0.0000
5 H E -1.4836
6 G E 0.0000
7 G E -0.4751
1 F F 1.8977
2 F F 0.0000
3 K F -0.9412
4 G F 0.0000
5 H F -1.4885
6 G F 0.0000
7 G F -0.5968
1 F G 1.5729
2 F G 0.0000
3 K G -1.0786
4 G G 0.0000
5 H G -1.8250
6 G G 0.0000
7 G G -0.6850
1 F H 1.5810
2 F H -0.0880
3 K H -1.8329
4 G H -2.1236
5 H H -1.6871
6 G H -0.2558
7 G H -0.0552
1 F I 2.4356
2 F I 1.3007
3 K I -1.3586
4 G I -2.2582
5 H I -2.1515
6 G I -0.9448
7 G I -0.4961
1 F J 1.6474
2 F J 0.0000
3 K J -1.3654
4 G J 0.0000
5 H J -2.1085
6 G J 0.0000
7 G J -0.4030
1 F K 1.2436
2 F K 0.0000
3 K K -1.4653
4 G K 0.0000
5 H K -1.3734
6 G K 0.0000
7 G K -0.3320
1 F L 1.2347
2 F L 0.0000
3 K L -1.3973
4 G L 0.0000
5 H L -1.3057
6 G L 0.0000
7 G L -0.3575
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Laboratory of Theory of Biopolymers 2018