Project name: a7e6301a9ab281

Status: done

Started: 2026-05-20 10:47:42
Settings
Chain sequence(s) A: FEKGHFEF
C: FEKGHFEF
B: FEKGHFEF
E: FEKGHFEF
D: FEKGHFEF
G: FEKGHFEF
F: FEKGHFEF
I: FEKGHFEF
H: FEKGHFEF
K: FEKGHFEF
J: FEKGHFEF
L: FEKGHFEF
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]                                                (00:00:00)
[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                                          (00:01:55)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:58)
Show buried residues

Minimal score value
-2.1906
Maximal score value
2.9709
Average score
0.2519
Total score value
24.1792

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 1.1247
2 E A -1.3525
3 K A -2.1906
4 G A -1.4607
5 H A -1.6245
6 F A -0.7596
7 E A -0.9529
8 F A 1.3012
1 F B 1.9541
2 E B 0.3665
3 K B -0.8372
4 G B 0.0000
5 H B -1.1451
6 F B -0.6473
7 E B -0.7503
8 F B 0.8955
1 F C 2.3404
2 E C 0.5318
3 K C -0.2763
4 G C 0.0000
5 H C -0.4943
6 F C -0.4059
7 E C -0.0802
8 F C 1.1309
1 F D 2.3257
2 E D 0.6934
3 K D -0.1614
4 G D 0.0000
5 H D -0.4273
6 F D -0.1231
7 E D 0.2894
8 F D 1.6300
1 F E 2.3812
2 E E 0.7138
3 K E -0.1119
4 G E 0.0000
5 H E -0.4729
6 F E -0.1095
7 E E 0.3241
8 F E 1.5843
1 F F 2.4475
2 E F 0.7248
3 K F -0.0938
4 G F 0.0000
5 H F -0.3447
6 F F 0.0598
7 E F 0.4780
8 F F 1.9415
1 F G 2.5404
2 E G 1.5036
3 K G 0.6166
4 G G 0.0000
5 H G -0.3171
6 F G -0.1917
7 E G -0.0612
8 F G 1.3285
1 F H 2.0062
2 E H -0.4681
3 K H -0.9488
4 G H 0.0000
5 H H -0.4001
6 F H 0.7551
7 E H 1.2683
8 F H 2.9709
1 F I 1.9663
2 E I -0.0774
3 K I -1.2554
4 G I -1.2824
5 H I -0.4986
6 F I 0.9979
7 E I 1.2161
8 F I 2.8760
1 F J 2.4409
2 E J 0.2666
3 K J -0.8552
4 G J -0.8115
5 H J -0.5574
6 F J 0.2271
7 E J 0.7719
8 F J 1.9576
1 F K 1.3256
2 E K -1.1570
3 K K -2.0896
4 G K -1.4617
5 H K -1.6731
6 F K -0.7584
7 E K -0.8725
8 F K 1.3757
1 F L 2.0285
2 E L 0.7743
3 K L -0.4636
4 G L 0.0000
5 H L -1.1886
6 F L -0.7787
7 E L -0.4970
8 F L 1.2136
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Laboratory of Theory of Biopolymers 2018