Project name: 7e0defe0cb844b6

Status: done

Started: 2026-02-12 14:22:21
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
M: FFKGHGG
L: FFKGHGG
O: FFKGHGG
N: FFKGHGG
Q: FFKGHGG
P: FFKGHGG
S: FFKGHGG
R: FFKGHGG
T: FFKGHGG
input PDB
Selected Chain(s) A,C,B,E,D,G,F,I,H,K,J,M,L,O,N,Q,P,S,R,T
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                                          (00:09:46)
[INFO]       Main:     Simulation completed successfully.                                          (00:09:51)
Show buried residues

Minimal score value
-2.4584
Maximal score value
3.2173
Average score
-0.1398
Total score value
-19.5713

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 3.1290
2 F A 0.0000
3 K A -0.5792
4 G A 0.0000
5 H A -1.2814
6 G A 0.0000
7 G A -0.3561
1 F B 2.8502
2 F B 0.0000
3 K B -0.8214
4 G B 0.0000
5 H B -1.2026
6 G B 0.0000
7 G B -0.3822
1 F C 2.3389
2 F C 0.0000
3 K C -0.7838
4 G C 0.0000
5 H C -1.1175
6 G C 0.0000
7 G C -0.3444
1 F D 2.4901
2 F D 0.0000
3 K D -0.8909
4 G D 0.0000
5 H D -1.1393
6 G D 0.0000
7 G D -0.2068
1 F E 1.9927
2 F E 0.0000
3 K E -1.1029
4 G E 0.0000
5 H E -1.5091
6 G E 0.0000
7 G E -0.5091
1 F F 2.4241
2 F F 1.3624
3 K F -0.7954
4 G F -1.8849
5 H F -2.4584
6 G F -1.4174
7 G F -1.1030
1 F G 2.9597
2 F G 2.1877
3 K G -0.7173
4 G G -1.3923
5 H G -2.2726
6 G G -1.5655
7 G G -1.3014
1 F H 1.9952
2 F H 0.0000
3 K H -1.6850
4 G H 0.0000
5 H H -1.6489
6 G H 0.0000
7 G H 0.0855
1 F I 2.4017
2 F I 0.0000
3 K I -0.8556
4 G I 0.0000
5 H I -1.5352
6 G I 0.0000
7 G I -0.3734
1 F J 2.0524
2 F J 0.0000
3 K J -0.7545
4 G J 0.0000
5 H J -1.4756
6 G J 0.0000
7 G J -0.2973
1 F K 1.5035
2 F K 0.0000
3 K K -0.7014
4 G K 0.0000
5 H K -1.3297
6 G K -0.2896
7 G K -0.3022
1 F L 1.9550
2 F L 0.0000
3 K L -0.6394
4 G L 0.0000
5 H L -1.2844
6 G L 0.0000
7 G L -0.1558
1 F M 1.5614
2 F M 0.0000
3 K M -0.8823
4 G M 0.0000
5 H M -1.4544
6 G M 0.0000
7 G M -0.1686
1 F N 1.3785
2 F N 0.0000
3 K N -1.0989
4 G N 0.0000
5 H N -2.0013
6 G N -0.5815
7 G N -0.3782
1 F O 1.5885
2 F O 0.0161
3 K O -1.5923
4 G O -2.1275
5 H O -2.1311
6 G O -0.3921
7 G O -0.1750
1 F P 3.2173
2 F P 2.3387
3 K P -1.0343
4 G P -1.9761
5 H P -2.3298
6 G P -1.3956
7 G P -0.8857
1 F Q 3.1634
2 F Q 0.0000
3 K Q -1.3925
4 G Q 0.0000
5 H Q -2.0187
6 G Q 0.0000
7 G Q -0.6316
1 F R 2.6236
2 F R 0.0000
3 K R -1.5126
4 G R 0.0000
5 H R -1.4446
6 G R 0.0000
7 G R -0.3575
1 F S 2.8751
2 F S 0.0000
3 K S -0.9747
4 G S 0.0000
5 H S -1.2724
6 G S 0.0000
7 G S -0.3915
1 F T 3.1555
2 F T 0.0000
3 K T -0.6622
4 G T 0.0000
5 H T -1.1457
6 G T 0.0000
7 G T -0.3459
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Laboratory of Theory of Biopolymers 2018