Project name: FEFEFEGGGKGH12

Status: done

Started: 2026-02-10 03:38:03
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Chain sequence(s) A: FEFEFEGGGKGH
C: FEFEFEGGGKGH
B: FEFEFEGGGKGH
E: FEFEFEGGGKGH
D: FEFEFEGGGKGH
G: FEFEFEGGGKGH
F: FEFEFEGGGKGH
I: FEFEFEGGGKGH
H: FEFEFEGGGKGH
K: FEFEFEGGGKGH
J: FEFEFEGGGKGH
L: FEFEFEGGGKGH
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                                          (00:08:42)
[INFO]       Main:     Simulation completed successfully.                                          (00:08:46)
Show buried residues

Minimal score value
-6.428
Maximal score value
1.026
Average score
-2.4496
Total score value
-352.7406

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 -0.3913
2 E A -3.2699
3 F A 0.0000
4 E A -5.6217
5 F A 0.0000
6 E A -5.0638
7 G A -3.0746
8 G A -2.5242
9 G A -2.6189
10 K A -3.3677
11 G A -2.8189
12 H A -2.4709
1 F B 0.2494
2 E B -3.1491
3 F B 0.0000
4 E B -5.9202
5 F B 0.0000
6 E B -5.0922
7 G B -3.2926
8 G B -2.9103
9 G B -2.5160
10 K B -2.9758
11 G B 0.0000
12 H B -2.1248
1 F C 0.2891
2 E C -2.8983
3 F C 0.0000
4 E C -6.3126
5 F C 0.0000
6 E C -5.6246
7 G C 0.0000
8 G C -2.7864
9 G C -2.9049
10 K C -3.4680
11 G C -2.8802
12 H C -2.5435
1 F D 0.6632
2 E D -2.3696
3 F D 0.0000
4 E D -4.6127
5 F D 0.0000
6 E D -4.4048
7 G D -2.9222
8 G D -2.5902
9 G D -2.5857
10 K D -2.8572
11 G D -2.7383
12 H D -2.4012
1 F E 1.0260
2 E E -1.7748
3 F E -1.7905
4 E E -3.5812
5 F E -2.6802
6 E E -3.4903
7 G E -2.1452
8 G E -2.4881
9 G E -2.3566
10 K E -2.9527
11 G E -2.6122
12 H E -2.1132
1 F F 0.4902
2 E F -2.3095
3 F F -2.5050
4 E F -4.2758
5 F F -3.4060
6 E F -4.1456
7 G F -2.4882
8 G F -2.6510
9 G F -2.7827
10 K F -3.7651
11 G F -2.8706
12 H F -2.1755
1 F G -0.0999
2 E G -2.8384
3 F G 0.0000
4 E G -4.5823
5 F G -3.5027
6 E G -4.0522
7 G G -2.8175
8 G G -2.6754
9 G G -2.9253
10 K G -3.7696
11 G G -3.0138
12 H G -2.2420
1 F H 0.0214
2 E H -2.5176
3 F H 0.0000
4 E H -4.4557
5 F H 0.0000
6 E H -4.3397
7 G H -2.9113
8 G H -2.6358
9 G H -2.5173
10 K H -3.5975
11 G H -2.8240
12 H H -2.1420
1 F I 0.5727
2 E I -2.8939
3 F I -3.2411
4 E I -5.1628
5 F I 0.0000
6 E I -5.1921
7 G I -3.1226
8 G I -2.4853
9 G I -2.5727
10 K I -3.4943
11 G I -2.5645
12 H I -2.1448
1 F J 0.7831
2 E J -2.6390
3 F J 0.0000
4 E J -6.4280
5 F J 0.0000
6 E J -5.7010
7 G J -3.2505
8 G J -2.8894
9 G J -2.7010
10 K J -3.5447
11 G J -2.5575
12 H J -2.1960
1 F K 0.4929
2 E K -1.8906
3 F K -2.0869
4 E K -3.9169
5 F K -3.2531
6 E K -3.8591
7 G K 0.0000
8 G K -2.5367
9 G K -2.6656
10 K K -3.3275
11 G K -2.7461
12 H K -2.0580
1 F L 0.7572
2 E L -1.9578
3 F L 0.0000
4 E L -3.7754
5 F L -3.0109
6 E L -3.8762
7 G L -2.4993
8 G L -2.3676
9 G L -2.4988
10 K L -3.1496
11 G L -2.1392
12 H L -1.7660
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Laboratory of Theory of Biopolymers 2018