Project name: FFKGHFG20

Status: done

Started: 2026-02-13 12:47:03
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Chain sequence(s) A: FFKGHFG
C: FFKGHFG
B: FFKGHFG
E: FFKGHFG
D: FFKGHFG
G: FFKGHFG
F: FFKGHFG
I: FFKGHFG
H: FFKGHFG
K: FFKGHFG
J: FFKGHFG
M: FFKGHFG
L: FFKGHFG
O: FFKGHFG
N: FFKGHFG
Q: FFKGHFG
P: FFKGHFG
S: FFKGHFG
R: FFKGHFG
T: FFKGHFG
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]                                                (00:00:00)
[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                                          (00:25:23)
[INFO]       Main:     Simulation completed successfully.                                          (00:25:28)
Show buried residues

Minimal score value
-0.9123
Maximal score value
2.2102
Average score
0.3393
Total score value
47.5034

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 0.0000
2 F A 0.5992
3 K A 0.1008
4 G A 0.0000
5 H A 0.4985
6 F A 1.5348
7 G A 0.3974
1 F B 1.0377
2 F B 0.0000
3 K B -0.2397
4 G B 0.0000
5 H B 0.0662
6 F B 0.9614
7 G B 0.0474
1 F C 1.2231
2 F C 0.6698
3 K C -0.2862
4 G C 0.0000
5 H C -0.2918
6 F C 0.4049
7 G C -0.1066
1 F D 0.0000
2 F D 1.0081
3 K D 0.0000
4 G D 0.0000
5 H D 0.1399
6 F D 1.3493
7 G D 0.1670
1 F E 1.1994
2 F E 1.6519
3 K E 0.5449
4 G E 0.0000
5 H E 0.3249
6 F E 0.7616
7 G E -0.0942
1 F F 0.0000
2 F F 1.7126
3 K F 1.0167
4 G F 0.0000
5 H F 0.7164
6 F F 1.2471
7 G F 0.0546
1 F G 1.4028
2 F G 0.0000
3 K G 0.8706
4 G G 0.0000
5 H G 0.3158
6 F G 1.2084
7 G G 0.1446
1 F H 1.0892
2 F H 1.0921
3 K H 0.0415
4 G H 0.0000
5 H H -0.1182
6 F H 0.5901
7 G H 0.0510
1 F I 0.9120
2 F I 0.0000
3 K I -0.4804
4 G I 0.0000
5 H I -0.5910
6 F I 0.8044
7 G I 0.1056
1 F J 1.0019
2 F J 0.8415
3 K J -0.2529
4 G J 0.0000
5 H J -0.1896
6 F J 0.2733
7 G J -0.0959
1 F K 1.2115
2 F K 1.0681
3 K K 0.0000
4 G K 0.0000
5 H K -0.4497
6 F K 0.4425
7 G K -0.0098
1 F L 0.0000
2 F L 1.1251
3 K L 0.1073
4 G L 0.0960
5 H L 0.2788
6 F L 1.4193
7 G L 0.4241
1 F M 2.2102
2 F M 1.2041
3 K M 0.0357
4 G M 0.0000
5 H M 0.1844
6 F M 1.2073
7 G M 0.3723
1 F N 0.0000
2 F N 0.8356
3 K N -0.1721
4 G N 0.0000
5 H N 0.2243
6 F N 1.2935
7 G N 0.3118
1 F O 0.9374
2 F O 0.0000
3 K O -0.9123
4 G O 0.0000
5 H O -0.3857
6 F O 0.6691
7 G O 0.0171
1 F P 0.6198
2 F P 0.3798
3 K P -0.8255
4 G P 0.0000
5 H P -0.6613
6 F P 0.9249
7 G P 0.1809
1 F Q 0.4670
2 F Q 0.2867
3 K Q -0.8170
4 G Q 0.0000
5 H Q -0.3991
6 F Q 0.9418
7 G Q 0.0349
1 F R -0.0093
2 F R 0.5616
3 K R -0.0090
4 G R 0.0000
5 H R -0.0241
6 F R 1.5041
7 G R 0.3897
1 F S 0.0000
2 F S 0.9517
3 K S -0.1229
4 G S 0.0000
5 H S -0.0875
6 F S 1.2244
7 G S 0.1502
1 F T 0.2854
2 F T 0.0000
3 K T -0.4995
4 G T 0.0000
5 H T -0.0947
6 F T 0.8451
7 G T 0.1255
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Laboratory of Theory of Biopolymers 2018