Project name: 74bc7161c52b656

Status: done

Started: 2026-02-23 14:15:14
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Chain sequence(s) A: FSKGHGG
C: FSKGHGG
B: FSKGHGG
E: FSKGHGG
D: FSKGHGG
G: FSKGHGG
F: FSKGHGG
I: FSKGHGG
H: FSKGHGG
K: FSKGHGG
J: FSKGHGG
M: FSKGHGG
L: FSKGHGG
O: FSKGHGG
N: FSKGHGG
Q: FSKGHGG
P: FSKGHGG
S: FSKGHGG
R: FSKGHGG
T: FSKGHGG
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                                          (00:08:43)
[INFO]       Main:     Simulation completed successfully.                                          (00:08:48)
Show buried residues

Minimal score value
-2.6355
Maximal score value
2.2947
Average score
-0.4914
Total score value
-68.7892

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 1.1975
2 S A -0.3888
3 K A -1.8236
4 G A -2.1049
5 H A -1.4876
6 G A -0.3803
7 G A -0.6089
1 F B 2.2947
2 S B 0.1753
3 K B -1.8325
4 G B -2.6355
5 H B -2.1550
6 G B -1.3844
7 G B -1.2301
1 F C 1.9797
2 S C 0.1370
3 K C -2.0746
4 G C -2.5688
5 H C -2.4771
6 G C -1.8007
7 G C -1.2636
1 F D 1.4948
2 S D -0.4731
3 K D -2.2405
4 G D -2.5266
5 H D -1.7922
6 G D -0.1142
7 G D -0.2910
1 F E 1.8626
2 S E 0.0000
3 K E -1.8151
4 G E 0.0000
5 H E -1.6967
6 G E 0.0000
7 G E -0.3821
1 F F 1.1663
2 S F 0.0000
3 K F -1.2912
4 G F 0.0000
5 H F -1.1436
6 G F -0.0412
7 G F -0.3193
1 F G 0.7405
2 S G 0.0000
3 K G -1.5222
4 G G 0.0000
5 H G -1.4596
6 G G 0.0000
7 G G -0.4141
1 F H 0.6848
2 S H 0.0000
3 K H -1.7251
4 G H 0.0000
5 H H -1.4459
6 G H 0.0000
7 G H -0.4153
1 F I 1.2539
2 S I 0.0000
3 K I -1.8565
4 G I 0.0000
5 H I -1.5983
6 G I 0.0000
7 G I -0.3192
1 F J 1.1505
2 S J 0.0000
3 K J -1.8447
4 G J 0.0000
5 H J -1.4450
6 G J 0.0000
7 G J -0.2241
1 F K 1.0917
2 S K 0.0000
3 K K -2.5908
4 G K 0.0000
5 H K -1.6159
6 G K 0.0000
7 G K -0.0742
1 F L 1.5064
2 S L -0.5483
3 K L -2.3533
4 G L -2.2027
5 H L -1.8726
6 G L -0.4984
7 G L -0.4133
1 F M 1.2064
2 S M 0.0000
3 K M -2.1930
4 G M 0.0000
5 H M -1.8343
6 G M 0.0000
7 G M -0.5162
1 F N 1.0631
2 S N 0.0000
3 K N -2.0630
4 G N 0.0000
5 H N -1.2452
6 G N 0.0000
7 G N -0.3566
1 F O 1.2396
2 S O 0.0000
3 K O -1.8690
4 G O 0.0000
5 H O -1.3428
6 G O 0.0000
7 G O -0.5200
1 F P 0.9207
2 S P 0.0000
3 K P -1.9134
4 G P 0.0000
5 H P -1.4392
6 G P 0.0000
7 G P -0.6384
1 F Q 1.2686
2 S Q 0.0000
3 K Q -1.8136
4 G Q 0.0000
5 H Q -1.4256
6 G Q 0.0000
7 G Q -0.6686
1 F R 1.3473
2 S R 0.0000
3 K R -1.3744
4 G R 0.0000
5 H R -1.0018
6 G R 0.0000
7 G R -0.4284
1 F S 1.4056
2 S S 0.0000
3 K S -1.4266
4 G S 0.0000
5 H S -1.0213
6 G S 0.0000
7 G S -0.1694
1 F T 1.3848
2 S T 0.0000
3 K T -2.0279
4 G T 0.0000
5 H T -1.1600
6 G T 0.0000
7 G T -0.1296
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Laboratory of Theory of Biopolymers 2018