Project name: 22cb300f4420397

Status: done

Started: 2026-06-27 16:05:21
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                                          (00:00:07)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:12)
Show buried residues

Minimal score value
-1.7256
Maximal score value
0.0
Average score
-0.7775
Total score value
-233.2445

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 -1.0663
2 G A -1.0222
3 G A 0.0000
4 G A -0.7911
5 S A 0.0000
6 G A -0.5460
7 G A -0.6785
8 G A 0.0000
9 G A -0.7710
10 S A 0.0000
11 G A 0.0000
12 G A 0.0000
13 G A 0.0000
14 G A 0.0000
15 S A -1.3018
1 G B -1.0303
2 G B 0.0000
3 G B 0.0000
4 G B 0.0000
5 S B 0.0000
6 G B 0.0000
7 G B 0.0000
8 G B 0.0000
9 G B 0.0000
10 S B 0.0000
11 G B 0.0000
12 G B 0.0000
13 G B 0.0000
14 G B 0.0000
15 S B -1.1574
1 G C -1.1437
2 G C -1.1560
3 G C -0.9294
4 G C -0.6117
5 S C -0.6478
6 G C -0.6944
7 G C -0.9254
8 G C -0.9602
9 G C -0.6179
10 S C -0.6472
11 G C -0.7334
12 G C -0.8453
13 G C -1.1084
14 G C -1.0603
15 S C -0.8882
1 G D -1.1494
2 G D -1.1490
3 G D -1.1336
4 G D 0.0000
5 S D -0.7715
6 G D 0.0000
7 G D -1.0465
8 G D -1.0981
9 G D 0.0000
10 S D -0.8550
11 G D -0.9463
12 G D -1.0327
13 G D -1.2757
14 G D -1.2519
15 S D -1.0157
1 G E -1.0822
2 G E -1.1249
3 G E -1.1341
4 G E -1.2310
5 S E -0.9689
6 G E -1.0194
7 G E -1.1069
8 G E -1.0926
9 G E -1.2535
10 S E -0.9197
11 G E -0.9542
12 G E -0.9650
13 G E -1.0531
14 G E -1.0584
15 S E -0.8248
1 G F -1.1688
2 G F 0.0000
3 G F 0.0000
4 G F 0.0000
5 S F 0.0000
6 G F 0.0000
7 G F 0.0000
8 G F -1.1539
9 G F -1.1537
10 S F 0.0000
11 G F -0.9069
12 G F 0.0000
13 G F -1.1631
14 G F -1.1993
15 S F -1.0410
1 G G -1.0756
2 G G -1.0904
3 G G -1.0997
4 G G -1.1850
5 S G -0.8985
6 G G -1.0253
7 G G -1.0670
8 G G -1.0341
9 G G -1.1319
10 S G -0.9642
11 G G -0.9862
12 G G -0.9475
13 G G -1.0856
14 G G -1.0020
15 S G -0.8495
1 G H -1.1919
2 G H 0.0000
3 G H -1.0296
4 G H -0.8507
5 S H 0.0000
6 G H -0.7770
7 G H -0.8909
8 G H -0.8967
9 G H -0.8185
10 S H -0.8134
11 G H -0.7894
12 G H -0.7722
13 G H 0.0000
14 G H -0.9342
15 S H -0.8872
1 G I -1.2906
2 G I 0.0000
3 G I -0.8561
4 G I -0.5992
5 S I 0.0000
6 G I -0.5639
7 G I -0.6805
8 G I -0.7113
9 G I -0.6102
10 S I -0.6440
11 G I -0.6291
12 G I -0.6556
13 G I 0.0000
14 G I -0.8680
15 S I -0.8712
1 G J -1.5391
2 G J 0.0000
3 G J -0.8580
4 G J -0.6669
5 S J 0.0000
6 G J -0.6460
7 G J -0.6863
8 G J -0.6132
9 G J -0.6645
10 S J 0.0000
11 G J -0.6020
12 G J -0.7781
13 G J 0.0000
14 G J -0.8569
15 S J -0.8589
1 G K -1.5611
2 G K -1.3925
3 G K -1.0931
4 G K 0.0000
5 S K -0.5755
6 G K 0.0000
7 G K -0.8171
8 G K -0.8602
9 G K 0.0000
10 S K -0.6073
11 G K 0.0000
12 G K -0.8466
13 G K -0.9926
14 G K -0.9907
15 S K -0.9308
1 G L -1.6500
2 G L 0.0000
3 G L -1.1439
4 G L -0.8898
5 S L 0.0000
6 G L -0.7635
7 G L 0.0000
8 G L -0.7837
9 G L -0.7799
10 S L 0.0000
11 G L -0.6572
12 G L -0.8855
13 G L 0.0000
14 G L -0.9936
15 S L -0.9798
1 G M -1.4251
2 G M -1.4592
3 G M -1.2183
4 G M -0.6893
5 S M -0.7117
6 G M -0.8037
7 G M -0.9483
8 G M -0.9417
9 G M -0.7238
10 S M -0.7006
11 G M -0.8141
12 G M -0.9035
13 G M -1.0859
14 G M -1.0999
15 S M -0.8623
1 G N -1.2271
2 G N -1.2264
3 G N 0.0000
4 G N -0.9160
5 S N -0.7599
6 G N -0.6324
7 G N -0.8023
8 G N 0.0000
9 G N -0.8252
10 S N -0.7862
11 G N 0.0000
12 G N -0.7702
13 G N -1.1413
14 G N 0.0000
15 S N -1.3339
1 G O -1.1246
2 G O -1.2357
3 G O 0.0000
4 G O -0.7507
5 S O -0.7603
6 G O 0.0000
7 G O -0.8633
8 G O -0.9296
9 G O -0.8094
10 S O -0.7064
11 G O 0.0000
12 G O -0.9037
13 G O -1.2292
14 G O 0.0000
15 S O -1.2244
1 G P -1.2178
2 G P -1.1486
3 G P -1.0902
4 G P 0.0000
5 S P -0.6580
6 G P -0.7045
7 G P -0.7850
8 G P -0.8728
9 G P -0.8617
10 S P -0.6212
11 G P -0.7685
12 G P 0.0000
13 G P -1.0501
14 G P -1.3417
15 S P -1.0753
1 G Q -1.6168
2 G Q -1.4723
3 G Q -1.2688
4 G Q 0.0000
5 S Q -0.7970
6 G Q -0.9172
7 G Q -1.0281
8 G Q -0.9705
9 G Q -1.0302
10 S Q -0.8161
11 G Q -0.8630
12 G Q 0.0000
13 G Q -1.1946
14 G Q -1.2721
15 S Q -0.9871
1 G R -1.5947
2 G R -1.7256
3 G R 0.0000
4 G R -1.1141
5 S R -0.9887
6 G R -0.9840
7 G R -1.2323
8 G R 0.0000
9 G R -1.0392
10 S R -0.9804
11 G R -0.8685
12 G R -1.1159
13 G R -1.3167
14 G R -1.2148
15 S R -0.9533
1 G S -1.4244
2 G S -1.5880
3 G S -1.4703
4 G S -1.1478
5 S S -1.0440
6 G S -1.0181
7 G S -1.2041
8 G S -1.3138
9 G S -1.0367
10 S S -0.9905
11 G S -1.0460
12 G S -1.1426
13 G S -1.3048
14 G S -1.1318
15 S S -0.7795
1 G T -1.5980
2 G T -1.5654
3 G T -1.5379
4 G T 0.0000
5 S T -0.9305
6 G T -1.1120
7 G T -1.1941
8 G T -1.3288
9 G T -1.1571
10 S T -0.9170
11 G T -1.0895
12 G T -1.1956
13 G T -1.2583
14 G T -1.2869
15 S T -0.8551
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Laboratory of Theory of Biopolymers 2018