Project name: FEFEFEGSKGH8

Status: done

Started: 2026-02-10 04:50:03
Settings
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                                          (00:02:50)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:52)
Show buried residues

Minimal score value
-3.7525
Maximal score value
0.9681
Average score
-2.0635
Total score value
-181.5867

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 -2.5256
2 E A -2.7131
3 F A -1.7416
4 E A -3.1363
5 F A -2.5694
6 E A -3.7525
7 G A -3.2892
8 S A -2.7950
9 K A -3.0884
10 G A -2.2244
11 H A -1.6745
1 F B -1.5186
2 E B -3.2009
3 F B 0.0000
4 E B -3.6148
5 F B -2.6041
6 E B -3.5601
7 G B -2.7476
8 S B -2.5734
9 K B -2.9032
10 G B -2.2153
11 H B -1.7164
1 F C 0.6721
2 E C -1.1056
3 F C -0.3617
4 E C -1.0736
5 F C -1.3579
6 E C -2.5609
7 G C -2.4669
8 S C -2.5260
9 K C -2.9701
10 G C -2.1580
11 H C -1.6901
1 F D -0.6866
2 E D -1.9375
3 F D -1.1129
4 E D -2.2069
5 F D -1.4854
6 E D -3.2553
7 G D -2.9161
8 S D -2.4840
9 K D -2.9801
10 G D -2.3266
11 H D -1.7101
1 F E -2.2931
2 E E -3.3353
3 F E -1.8833
4 E E -2.8467
5 F E -1.8220
6 E E -2.5427
7 G E -2.0706
8 S E -2.1385
9 K E -2.8146
10 G E -2.4094
11 H E -1.7145
1 F F 0.9681
2 E F -1.0736
3 F F -1.4253
4 E F -2.8720
5 F F 0.0000
6 E F -3.6693
7 G F -2.5800
8 S F -2.7799
9 K F -3.5213
10 G F -2.5913
11 H F -1.9180
1 F G 0.8615
2 E G -1.3455
3 F G -1.2475
4 E G -2.7106
5 F G -2.4522
6 E G -3.2776
7 G G -2.6572
8 S G -2.5726
9 K G -3.5006
10 G G -2.1214
11 H G -1.6996
1 F H 0.7168
2 E H -0.7641
3 F H 0.2468
4 E H -1.5517
5 F H -0.6499
6 E H -2.1909
7 G H -2.0272
8 S H -2.1128
9 K H -2.5649
10 G H -2.0590
11 H H -1.7086
Download PDB file
View in 3Dmol
Play the video

Laboratory of Theory of Biopolymers 2018