Project name: FEKGHFEF12

Status: done

Started: 2026-05-19 09:46:27
Settings
Chain sequence(s) A: FEKGHFEF
C: FEKGHFEF
B: FEKGHFEF
E: FEKGHFEF
D: FEKGHFEF
G: FEKGHFEF
F: FEKGHFEF
I: FEKGHFEF
H: FEKGHFEF
K: FEKGHFEF
J: FEKGHFEF
L: FEKGHFEF
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]                                                (00:00:00)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:00)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:04:47)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:50)
Show buried residues

Minimal score value
-3.2236
Maximal score value
1.9289
Average score
-1.4017
Total score value
-134.5653

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 0.4610
2 E A -2.2094
3 K A -2.8683
4 G A -2.3230
5 H A -2.2323
6 F A -0.9796
7 E A -0.8703
8 F A 1.9289
1 F B 1.3536
2 E B -1.3680
3 K B -2.8184
4 G B -2.9664
5 H B -2.7725
6 F B -1.7512
7 E B -1.4415
8 F B -0.2654
1 F C 0.2434
2 E C -2.4677
3 K C -3.2236
4 G C -2.0097
5 H C -1.8479
6 F C 0.0000
7 E C -1.2084
8 F C 0.0000
1 F D 0.3721
2 E D -2.1715
3 K D -2.9501
4 G D 0.0000
5 H D -2.3479
6 F D -0.9964
7 E D -0.3889
8 F D 1.6702
1 F E 0.5540
2 E E -1.6391
3 K E -2.5644
4 G E -2.3485
5 H E -2.6516
6 F E 0.0000
7 E E -2.5550
8 F E -1.2199
1 F F 0.5309
2 E F -1.9792
3 K F -3.0321
4 G F -2.5426
5 H F -2.6324
6 F F -1.4408
7 E F -1.4584
8 F F 0.7010
1 F G 0.4118
2 E G -1.7860
3 K G -2.6952
4 G G -2.3894
5 H G -3.0336
6 F G -1.8181
7 E G -2.7043
8 F G 0.0000
1 F H 0.1136
2 E H -2.4095
3 K H -2.8440
4 G H -2.4897
5 H H -2.2233
6 F H 0.0000
7 E H -1.1247
8 F H 0.0000
1 F I 0.6966
2 E I -2.0618
3 K I -2.6574
4 G I -2.4910
5 H I -2.2802
6 F I -1.0496
7 E I -1.7932
8 F I -0.7897
1 F J 0.6568
2 E J -1.7843
3 K J -2.7105
4 G J -2.5853
5 H J -2.2076
6 F J -1.5277
7 E J -2.0564
8 F J 0.0000
1 F K 0.3651
2 E K -2.0828
3 K K -2.9155
4 G K -2.2697
5 H K -2.1189
6 F K -1.4060
7 E K -1.6133
8 F K 0.4405
1 F L 0.4120
2 E L -2.0128
3 K L -2.7466
4 G L -2.5603
5 H L -2.5206
6 F L 0.0000
7 E L -1.7459
8 F L 0.5705
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Laboratory of Theory of Biopolymers 2018