Project name: FEFEFEGGKGH12

Status: done

Started: 2026-02-10 02:55:29
Settings
Chain sequence(s) A: FEFEFEGGKGH
C: FEFEFEGGKGH
B: FEFEFEGGKGH
E: FEFEFEGGKGH
D: FEFEFEGGKGH
G: FEFEFEGGKGH
F: FEFEFEGGKGH
I: FEFEFEGGKGH
H: FEFEFEGGKGH
K: FEFEFEGGKGH
J: FEFEFEGGKGH
L: FEFEFEGGKGH
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                                          (00:06:36)
[INFO]       Main:     Simulation completed successfully.                                          (00:06:40)
Show buried residues

Minimal score value
-4.3561
Maximal score value
0.9985
Average score
-2.4239
Total score value
-319.9511

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 0.2366
2 E A -2.3122
3 F A -2.2509
4 E A -4.0634
5 F A -3.1071
6 E A -3.5749
7 G A 0.0000
8 G A -2.5906
9 K A -2.5520
10 G A -2.3573
11 H A -2.1391
1 F B 0.7954
2 E B -2.1516
3 F B -2.2409
4 E B -4.0691
5 F B -2.9007
6 E B -3.7622
7 G B -2.7116
8 G B -2.8512
9 K B -3.0121
10 G B -2.5746
11 H B -2.4283
1 F C 0.6463
2 E C -2.1584
3 F C -2.2159
4 E C -4.1558
5 F C -3.4103
6 E C -4.1450
7 G C -2.9195
8 G C -3.1103
9 K C -3.2780
10 G C -2.7726
11 H C -2.3719
1 F D 0.2027
2 E D -2.4570
3 F D 0.0000
4 E D -4.3150
5 F D -3.3888
6 E D -4.2728
7 G D -2.9297
8 G D -2.8895
9 K D -2.8113
10 G D -2.4197
11 H D -2.1219
1 F E 0.0780
2 E E -2.5621
3 F E 0.0000
4 E E -4.2975
5 F E -3.3659
6 E E -4.0763
7 G E -2.7954
8 G E -2.7034
9 K E -2.6364
10 G E -2.2719
11 H E -2.0560
1 F F 0.2868
2 E F -2.3894
3 F F -2.4300
4 E F -4.2555
5 F F -3.3282
6 E F -3.8410
7 G F 0.0000
8 G F -2.6815
9 K F -2.3491
10 G F -2.1027
11 H F -2.0006
1 F G 0.9366
2 E G -2.0058
3 F G 0.0000
4 E G -4.1483
5 F G -3.3404
6 E G -4.0797
7 G G -2.7975
8 G G -2.8505
9 K G -2.6923
10 G G -2.4434
11 H G -2.2032
1 F H 0.9985
2 E H -1.9027
3 F H -2.0718
4 E H -4.1481
5 F H -3.4278
6 E H -4.0668
7 G H 0.0000
8 G H -3.2610
9 K H -3.2800
10 G H -2.7558
11 H H -2.3959
1 F I 0.4287
2 E I -2.1868
3 F I -2.2318
4 E I -4.2088
5 F I -3.3442
6 E I -4.3518
7 G I 0.0000
8 G I -3.2739
9 K I -3.5175
10 G I -2.7999
11 H I -2.4787
1 F J 0.2517
2 E J -2.3615
3 F J -2.3471
4 E J -4.2471
5 F J -3.3419
6 E J -4.3117
7 G J -3.0632
8 G J -3.0346
9 K J -3.0098
10 G J -2.5136
11 H J -2.1490
1 F K 0.6360
2 E K -2.2462
3 F K 0.0000
4 E K -4.3561
5 F K -3.3042
6 E K -4.2733
7 G K -2.8761
8 G K -2.7510
9 K K -2.6137
10 G K -2.2703
11 H K -2.0640
1 F L 0.8293
2 E L -2.0861
3 F L 0.0000
4 E L -4.0667
5 F L -3.4748
6 E L -4.0043
7 G L 0.0000
8 G L -2.5941
9 K L -2.4583
10 G L -2.2368
11 H L -2.0217
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Laboratory of Theory of Biopolymers 2018