Project name: 8c375758350b4ac

Status: done

Started: 2026-02-23 14:53:04
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Chain sequence(s) A: FEFEFEGSKGH
C: FEFEFEGSKGH
B: FEFEFEGSKGH
E: FEFEFEGSKGH
D: FEFEFEGSKGH
G: FEFEFEGSKGH
F: FEFEFEGSKGH
H: FEFEFEGSKGH
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                                          (00:04:17)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:20)
Show buried residues

Minimal score value
-4.2129
Maximal score value
0.8704
Average score
-1.9881
Total score value
-174.955

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 -0.9946
2 E A -2.9182
3 F A 0.0000
4 E A -3.5574
5 F A 0.0000
6 E A -4.0512
7 G A -2.9681
8 S A -2.7679
9 K A 0.0000
10 G A -1.9695
11 H A -1.4664
1 F B -1.6406
2 E B -3.2466
3 F B 0.0000
4 E B -3.6265
5 F B 0.0000
6 E B -4.0421
7 G B -2.9265
8 S B -2.7185
9 K B 0.0000
10 G B -1.6629
11 H B -1.0409
1 F C 0.8704
2 E C -1.7002
3 F C -1.4978
4 E C -3.0391
5 F C -2.2466
6 E C -3.3622
7 G C -1.9976
8 S C -2.2791
9 K C -2.4116
10 G C -2.3411
11 H C -1.8619
1 F D 0.2100
2 E D -1.9660
3 F D -1.5265
4 E D -2.9590
5 F D -2.2754
6 E D -3.3958
7 G D -2.3242
8 S D -2.5577
9 K D -3.0101
10 G D -2.4751
11 H D -1.9140
1 F E -1.4476
2 E E -3.2254
3 F E 0.0000
4 E E -3.6662
5 F E 0.0000
6 E E -4.1519
7 G E -2.9968
8 S E -2.7183
9 K E 0.0000
10 G E -1.8372
11 H E -1.2968
1 F F -1.2136
2 E F -2.9990
3 F F 0.0000
4 E F -3.5826
5 F F 0.0000
6 E F -4.2129
7 G F -3.0100
8 S F -2.7231
9 K F 0.0000
10 G F -1.8881
11 H F -1.3804
1 F G 0.0705
2 E G -1.9884
3 F G -1.5276
4 E G -2.9828
5 F G -2.3036
6 E G -3.4213
7 G G -2.1921
8 S G -2.3035
9 K G -2.4607
10 G G -2.1833
11 H G -1.7502
1 F H 0.3962
2 E H -1.9205
3 F H -1.4906
4 E H -2.9853
5 F H -2.2393
6 E H -3.3511
7 G H -2.1628
8 S H -2.2364
9 K H -2.3099
10 G H -2.0707
11 H H -1.5332
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Laboratory of Theory of Biopolymers 2018