Project name: 2f3a192606c5817

Status: done

Started: 2026-06-27 14:36:25
Settings
Chain sequence(s) A: RADARADARADARADA
C: RADARADARADARADA
B: RADARADARADARADA
E: RADARADARADARADA
D: RADARADARADARADA
G: RADARADARADARADA
F: RADARADARADARADA
H: RADARADARADARADA
input PDB
Selected Chain(s) A,C,B,E,D,G,F,H
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                                          (00:04:45)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:48)
Show buried residues

Minimal score value
-3.9383
Maximal score value
0.0
Average score
-2.2557
Total score value
-288.7289

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 R A -3.0483
2 A A -2.4101
3 D A -2.7452
4 A A -1.9963
5 R A -3.1740
6 A A -2.4500
7 D A -3.2995
8 A A -2.2937
9 R A -3.0915
10 A A -2.1029
11 D A -2.9594
12 A A -2.0983
13 R A -3.0952
14 A A -2.3368
15 D A -2.9268
16 A A -1.7230
1 R B -3.6731
2 A B -2.5418
3 D B -2.5599
4 A B -1.7658
5 R B -2.5913
6 A B -1.7479
7 D B -2.2973
8 A B -2.1118
9 R B -3.4426
10 A B -2.3183
11 D B -2.6736
12 A B -1.8870
13 R B -3.2215
14 A B -2.7492
15 D B -3.5853
16 A B -2.2521
1 R C -3.5394
2 A C -2.4661
3 D C -2.3002
4 A C -1.3290
5 R C -2.1075
6 A C -1.4486
7 D C -1.8348
8 A C -1.2707
9 R C -1.9854
10 A C -1.3199
11 D C -1.7682
12 A C -1.1436
13 R C -2.5593
14 A C -2.4681
15 D C -3.6463
16 A C -2.1109
1 R D -3.8701
2 A D -2.6138
3 D D -2.2888
4 A D -1.4238
5 R D -2.2708
6 A D -1.4747
7 D D -1.5989
8 A D -1.2096
9 R D -1.8384
10 A D -1.3379
11 D D -1.6300
12 A D -1.1930
13 R D -2.3713
14 A D -2.2346
15 D D -3.3236
16 A D -2.0183
1 R E -3.0279
2 A E -2.1588
3 D E -2.0670
4 A E -1.5816
5 R E -2.5516
6 A E -1.5443
7 D E -1.6140
8 A E -1.2816
9 R E -2.3223
10 A E -1.5244
11 D E -1.8820
12 A E -1.4619
13 R E -3.0885
14 A E -2.7828
15 D E -3.7962
16 A E -2.2394
1 R F -3.9383
2 A F -2.7734
3 D F -2.4412
4 A F -1.4754
5 R F -2.2098
6 A F -1.3491
7 D F -1.6160
8 A F -1.0996
9 R F -2.0180
10 A F -1.5080
11 D F -2.1976
12 A F -1.4861
13 R F -2.4992
14 A F -2.2132
15 D F -3.3896
16 A F -1.8840
1 R G -3.4826
2 A G -2.3650
3 D G -2.3741
4 A G -1.7078
5 R G -2.6664
6 A G -1.7480
7 D G 0.0000
8 A G -1.4924
9 R G -2.3349
10 A G -1.6446
11 D G -1.9461
12 A G -1.4315
13 R G -2.8305
14 A G -2.5302
15 D G -3.5358
16 A G -2.1612
1 R H -2.8381
2 A H -1.9658
3 D H -1.7632
4 A H -1.4406
5 R H -2.6669
6 A H -2.0376
7 D H -2.8122
8 A H -1.9563
9 R H -2.8852
10 A H -2.0867
11 D H -2.8444
12 A H -1.8816
13 R H -2.6152
14 A H -2.0890
15 D H -2.8233
16 A H -1.5838
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Laboratory of Theory of Biopolymers 2018