Project name: FFKGHGF12

Status: done

Started: 2026-05-19 10:20:35
Settings
Chain sequence(s) A: FFKGHGF
C: FFKGHGF
B: FFKGHGF
E: FFKGHGF
D: FFKGHGF
G: FFKGHGF
F: FFKGHGF
I: FFKGHGF
H: FFKGHGF
K: FFKGHGF
J: FFKGHGF
L: FFKGHGF
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                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:02:07)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:10)
Show buried residues

Minimal score value
-1.6701
Maximal score value
4.6659
Average score
0.6111
Total score value
51.3302

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 2.7036
2 F A 0.7878
3 K A -1.6304
4 G A -0.9533
5 H A -0.4768
6 G A 0.6494
7 F A 2.0029
1 F B 3.9042
2 F B 1.9010
3 K B -0.6710
4 G B -1.0595
5 H B -1.0976
6 G B 0.3364
7 F B 2.0915
1 F C 3.9817
2 F C 2.1011
3 K C -0.9397
4 G C -0.9615
5 H C -1.4495
6 G C -0.3873
7 F C 1.6071
1 F D 3.6109
2 F D 2.2917
3 K D -0.4170
4 G D -0.2589
5 H D -1.1711
6 G D -0.4026
7 F D 1.4157
1 F E 3.9557
2 F E 2.1388
3 K E -1.0020
4 G E -0.6843
5 H E -1.3995
6 G E -0.2499
7 F E 1.4253
1 F F 3.4547
2 F F 1.5511
3 K F -0.7651
4 G F -1.0158
5 H F -1.2224
6 G F -0.3082
7 F F 1.4136
1 F G 4.6511
2 F G 2.3592
3 K G -0.6215
4 G G -1.0487
5 H G -1.6701
6 G G -0.2339
7 F G 1.4797
1 F H 4.6659
2 F H 2.8571
3 K H -0.0329
4 G H -0.1977
5 H H -1.6582
6 G H -0.1390
7 F H 1.6014
1 F I 0.0000
2 F I 2.8845
3 K I 0.3662
4 G I -0.9276
5 H I -0.9278
6 G I 0.2619
7 F I 1.7727
1 F J 3.5256
2 F J 2.1557
3 K J -0.7322
4 G J -0.4930
5 H J -1.1299
6 G J -0.4649
7 F J 1.4129
1 F K 2.4748
2 F K 2.0812
3 K K -0.8634
4 G K -0.7316
5 H K -1.1335
6 G K -0.3882
7 F K 1.3951
1 F L 3.6826
2 F L 1.9547
3 K L -0.6148
4 G L -0.6467
5 H L -1.1150
6 G L -0.5502
7 F L 1.2679
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Laboratory of Theory of Biopolymers 2018