Project name: 7697b59e807b9b9

Status: done

Started: 2026-06-27 14:56:48
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Chain sequence(s) A: KLDLKLDLKLDL
C: KLDLKLDLKLDL
B: KLDLKLDLKLDL
E: KLDLKLDLKLDL
D: KLDLKLDLKLDL
G: KLDLKLDLKLDL
F: KLDLKLDLKLDL
H: KLDLKLDLKLDL
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]                                                (00:00:01)
[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                                          (00:06:10)
[INFO]       Main:     Simulation completed successfully.                                          (00:06:12)
Show buried residues

Minimal score value
-1.9582
Maximal score value
1.0457
Average score
-0.7097
Total score value
-68.128

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 K A -1.4612
2 L A -0.3948
3 D A -1.2934
4 L A -0.0944
5 K A -1.3503
6 L A -0.2128
7 D A -1.4262
8 L A -0.3293
9 K A -1.6735
10 L A -0.4058
11 D A -1.1286
12 L A 1.0047
1 K B -1.4811
2 L B -0.4090
3 D B -1.7440
4 L B -0.3380
5 K B -1.6240
6 L B -0.3697
7 D B -1.3871
8 L B -0.3270
9 K B -1.8974
10 L B -0.6023
11 D B -1.3731
12 L B 1.0001
1 K C -1.6777
2 L C -0.6387
3 D C -1.5511
4 L C -0.4501
5 K C -1.5842
6 L C -0.4850
7 D C -1.2887
8 L C -0.2597
9 K C -1.2581
10 L C -0.3514
11 D C -1.0889
12 L C 1.0457
1 K D -1.0668
2 L D -0.1163
3 D D -1.1023
4 L D -0.2811
5 K D -1.4630
6 L D -0.4677
7 D D -1.0587
8 L D -0.1880
9 K D -1.5142
10 L D -0.6134
11 D D -1.6077
12 L D 0.8229
1 K E -1.8851
2 L E -0.4567
3 D E -1.3012
4 L E -0.0009
5 K E -1.4099
6 L E -0.3108
7 D E -1.5200
8 L E -0.4379
9 K E -1.8388
10 L E -0.5169
11 D E -1.3727
12 L E 0.8796
1 K F -1.9582
2 L F -0.7973
3 D F -1.7796
4 L F -0.2339
5 K F -1.2083
6 L F 0.0139
7 D F -0.9420
8 L F -0.0083
9 K F -1.5721
10 L F -0.4606
11 D F -1.3852
12 L F 0.7878
1 K G -1.4872
2 L G 0.3145
3 D G -0.9024
4 L G 0.6863
5 K G -1.0176
6 L G 0.7341
7 D G -0.7665
8 L G 0.3288
9 K G -1.6305
10 L G -0.0093
11 D G -1.4496
12 L G 0.7622
1 K H -1.4328
2 L H 0.2118
3 D H -1.4669
4 L H 0.4097
5 K H -1.3808
6 L H 0.2959
7 D H -1.3657
8 L H 0.4169
9 K H -1.5239
10 L H -0.0002
11 D H -1.3669
12 L H 0.7896
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Laboratory of Theory of Biopolymers 2018