Project name: 9c1416469faeebe

Status: done

Started: 2026-02-12 09:09:29
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Chain sequence(s) A: GGGHKFG
C: GGGHKFG
B: GGGHKFG
E: GGGHKFG
D: GGGHKFG
G: GGGHKFG
F: GGGHKFG
I: GGGHKFG
H: GGGHKFG
K: GGGHKFG
J: GGGHKFG
L: GGGHKFG
input PDB
Selected Chain(s) A,C,B,E,D,G,F,I,H,K,J,L
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                                          (00:02:46)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:49)
Show buried residues

Minimal score value
-2.7757
Maximal score value
0.0
Average score
-1.5223
Total score value
-127.8772

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 -1.0672
2 G A -1.6692
3 G A -1.8570
4 H A -2.1617
5 K A -2.6098
6 F A -0.9670
7 G A -0.9387
1 G B -1.1003
2 G B -1.7671
3 G B -2.0561
4 H B -2.2447
5 K B -2.3868
6 F B -0.3290
7 G B -0.5963
1 G C -1.3568
2 G C -1.6081
3 G C -2.0319
4 H C -1.9538
5 K C -2.4424
6 F C 0.0000
7 G C -1.1688
1 G D -1.3243
2 G D -1.4113
3 G D -1.6696
4 H D -1.6413
5 K D -2.5271
6 F D 0.0000
7 G D -1.4678
1 G E -1.2874
2 G E -1.4326
3 G E -1.5679
4 H E -1.6417
5 K E -2.4956
6 F E 0.0000
7 G E -1.4999
1 G F -1.3390
2 G F -1.5282
3 G F -1.8557
4 H F -1.9482
5 K F -2.7757
6 F F 0.0000
7 G F -1.5079
1 G G -1.1965
2 G G -1.4280
3 G G -1.8815
4 H G -1.7909
5 K G -2.6661
6 F G -1.2994
7 G G -1.1628
1 G H -1.1830
2 G H -1.5054
3 G H -2.0691
4 H H -2.1779
5 K H -2.6211
6 F H -0.9095
7 G H -0.8953
1 G I -1.3179
2 G I -1.5601
3 G I -1.9527
4 H I -2.0320
5 K I -2.6884
6 F I 0.0000
7 G I -1.3659
1 G J -1.2715
2 G J -1.4309
3 G J -1.5796
4 H J -1.7350
5 K J -2.6317
6 F J 0.0000
7 G J -1.5101
1 G K -1.3066
2 G K -1.3870
3 G K -1.6367
4 H K -1.6619
5 K K -2.5673
6 F K 0.0000
7 G K -1.5026
1 G L -1.3231
2 G L -1.5370
3 G L -1.9179
4 H L -1.9576
5 K L -2.6141
6 F L 0.0000
7 G L -1.3692
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Laboratory of Theory of Biopolymers 2018