Project name: GS linker_20

Status: done

Started: 2026-06-25 07:35:36
Settings
Chain sequence(s) A: GGGGSGGGGSGGGGS
C: GGGGSGGGGSGGGGS
B: GGGGSGGGGSGGGGS
E: GGGGSGGGGSGGGGS
D: GGGGSGGGGSGGGGS
G: GGGGSGGGGSGGGGS
F: GGGGSGGGGSGGGGS
I: GGGGSGGGGSGGGGS
H: GGGGSGGGGSGGGGS
K: GGGGSGGGGSGGGGS
J: GGGGSGGGGSGGGGS
M: GGGGSGGGGSGGGGS
L: GGGGSGGGGSGGGGS
O: GGGGSGGGGSGGGGS
N: GGGGSGGGGSGGGGS
Q: GGGGSGGGGSGGGGS
P: GGGGSGGGGSGGGGS
S: GGGGSGGGGSGGGGS
R: GGGGSGGGGSGGGGS
T: GGGGSGGGGSGGGGS
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                                          (00:00:05)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:10)
Show buried residues

Minimal score value
-2.0134
Maximal score value
0.0
Average score
-1.3859
Total score value
-415.7813

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 G A -1.4400
2 G A -1.4200
3 G A -1.7122
4 G A -1.8148
5 S A -1.8269
6 G A -1.7399
7 G A -1.9507
8 G A -1.8618
9 G A -1.6562
10 S A -1.5087
11 G A -1.5522
12 G A -1.7475
13 G A -1.7753
14 G A -1.6888
15 S A -1.5280
1 G B -1.5380
2 G B 0.0000
3 G B -1.7319
4 G B -1.7018
5 S B -1.5261
6 G B -1.7746
7 G B -1.5467
8 G B -1.3902
9 G B -1.2507
10 S B -1.1183
11 G B -1.5482
12 G B -1.5156
13 G B -1.4044
14 G B -1.5335
15 S B -0.9954
1 G C -1.1845
2 G C -1.3227
3 G C -1.4185
4 G C -1.3635
5 S C -1.2951
6 G C -1.6159
7 G C -1.9003
8 G C -1.9787
9 G C -2.0134
10 S C -1.6954
11 G C -1.8809
12 G C -1.6817
13 G C -1.3278
14 G C -1.4722
15 S C -1.0489
1 G D -1.1949
2 G D -1.2871
3 G D -1.4622
4 G D -1.3061
5 S D -1.4874
6 G D -1.6909
7 G D -1.5211
8 G D -1.5393
9 G D 0.0000
10 S D -1.6337
11 G D 0.0000
12 G D 0.0000
13 G D 0.0000
14 G D 0.0000
15 S D -1.0001
1 G E -1.3558
2 G E -1.5285
3 G E -1.7212
4 G E -1.7389
5 S E -1.6995
6 G E -1.8735
7 G E -1.8003
8 G E -1.7755
9 G E -1.4988
10 S E -1.3303
11 G E -1.7221
12 G E -1.6148
13 G E -1.6558
14 G E -1.4616
15 S E -0.9670
1 G F -1.2279
2 G F -1.5591
3 G F -1.5495
4 G F -1.4011
5 S F -1.2189
6 G F -1.4342
7 G F -1.6393
8 G F -1.8165
9 G F -1.6844
10 S F -1.4601
11 G F -1.4180
12 G F 0.0000
13 G F -1.5318
14 G F -1.4906
15 S F -1.1224
1 G G -1.0891
2 G G -1.3791
3 G G -1.5002
4 G G -1.6152
5 S G -1.5605
6 G G -1.5088
7 G G -1.5730
8 G G -1.7095
9 G G -1.5870
10 S G -1.3298
11 G G -1.4276
12 G G -1.4232
13 G G -1.3437
14 G G -1.3297
15 S G -0.7879
1 G H -1.3108
2 G H -1.5938
3 G H -1.5719
4 G H -1.5356
5 S H -1.4197
6 G H -1.5927
7 G H -1.6985
8 G H -1.5143
9 G H -1.2419
10 S H -1.1675
11 G H -1.3831
12 G H -1.4553
13 G H -1.5959
14 G H -1.1590
15 S H -0.6127
1 G I -1.6734
2 G I -1.5933
3 G I -1.6566
4 G I -1.6477
5 S I -1.4606
6 G I -1.7622
7 G I -1.7775
8 G I -1.4889
9 G I -1.4601
10 S I -1.3031
11 G I -1.5985
12 G I -1.5376
13 G I -1.4948
14 G I -1.6429
15 S I -1.4345
1 G J -1.2124
2 G J -1.5199
3 G J -1.6948
4 G J -1.6151
5 S J -1.4375
6 G J -1.5669
7 G J -1.6437
8 G J -1.8325
9 G J -1.6855
10 S J -1.6754
11 G J -1.9156
12 G J 0.0000
13 G J -1.6338
14 G J -1.3987
15 S J -0.8415
1 G K -1.2413
2 G K -1.3272
3 G K -1.4972
4 G K -1.4244
5 S K -1.3491
6 G K -1.6075
7 G K -1.6884
8 G K -1.7986
9 G K -1.7692
10 S K -1.2786
11 G K -1.4826
12 G K -1.3607
13 G K -1.2641
14 G K -1.3587
15 S K -0.8926
1 G L -1.2172
2 G L -1.1160
3 G L -1.7192
4 G L -1.7638
5 S L -1.7211
6 G L -1.7363
7 G L -1.8406
8 G L -1.7480
9 G L -1.5060
10 S L -1.1614
11 G L -1.6368
12 G L -1.3689
13 G L -1.6022
14 G L -1.5281
15 S L -1.3849
1 G M -1.1411
2 G M -1.4869
3 G M -1.5694
4 G M -1.6944
5 S M -1.5122
6 G M -1.4170
7 G M -1.2479
8 G M -1.1762
9 G M -1.2305
10 S M -1.2931
11 G M -1.3328
12 G M -1.6749
13 G M -1.4996
14 G M -1.2260
15 S M -0.9112
1 G N -1.1482
2 G N -1.2517
3 G N -1.4388
4 G N -1.3398
5 S N -1.5119
6 G N -1.5906
7 G N -1.5362
8 G N -1.5329
9 G N -1.4145
10 S N -1.4530
11 G N -1.4286
12 G N -1.4237
13 G N -1.4338
14 G N -1.0080
15 S N -0.5950
1 G O -1.1944
2 G O -1.4244
3 G O -1.4590
4 G O -1.6539
5 S O -1.6463
6 G O -1.7165
7 G O -1.6835
8 G O -1.5555
9 G O -1.2310
10 S O -1.3330
11 G O 0.0000
12 G O 0.0000
13 G O -1.4433
14 G O -1.2553
15 S O -1.0219
1 G P -1.5400
2 G P -1.6569
3 G P -1.8008
4 G P -1.7979
5 S P -1.6364
6 G P -1.5352
7 G P -1.6832
8 G P 0.0000
9 G P -1.6042
10 S P 0.0000
11 G P -1.5859
12 G P -1.7297
13 G P -1.7907
14 G P -1.4542
15 S P -0.9703
1 G Q -1.2181
2 G Q -1.4139
3 G Q -1.6204
4 G Q -1.6691
5 S Q -1.5472
6 G Q -1.6473
7 G Q -1.7160
8 G Q -1.7633
9 G Q -1.4780
10 S Q -1.2506
11 G Q -1.4470
12 G Q -1.4719
13 G Q -1.3753
14 G Q -1.3690
15 S Q -0.8501
1 G R -0.9933
2 G R -1.2726
3 G R -1.4551
4 G R -1.4571
5 S R -1.5023
6 G R 0.0000
7 G R -1.4845
8 G R 0.0000
9 G R -1.4284
10 S R -1.4273
11 G R -1.2609
12 G R -1.4700
13 G R -1.4491
14 G R -1.1010
15 S R -0.7311
1 G S -1.5562
2 G S -1.5945
3 G S -1.5463
4 G S -1.6832
5 S S -1.5585
6 G S -1.7257
7 G S -1.5167
8 G S -1.6214
9 G S -1.4480
10 S S -1.5296
11 G S -1.5361
12 G S -1.5980
13 G S -1.5225
14 G S -1.3341
15 S S -0.6992
1 G T -1.1026
2 G T -1.2883
3 G T 0.0000
4 G T -1.5438
5 S T -1.4494
6 G T 0.0000
7 G T -1.6676
8 G T -1.4018
9 G T -1.2899
10 S T 0.0000
11 G T -1.4300
12 G T -1.3167
13 G T -1.1747
14 G T -1.0789
15 S T -0.7436
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Laboratory of Theory of Biopolymers 2018