Project name: 719d900832d4b86

Status: done

Started: 2026-02-23 13:17:03
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Chain sequence(s) A: FFKGHFF
C: FFKGHFF
B: FFKGHFF
E: FFKGHFF
D: FFKGHFF
G: FFKGHFF
F: FFKGHFF
I: FFKGHFF
H: FFKGHFF
K: FFKGHFF
J: FFKGHFF
M: FFKGHFF
L: FFKGHFF
O: FFKGHFF
N: FFKGHFF
Q: FFKGHFF
P: FFKGHFF
S: FFKGHFF
R: FFKGHFF
T: FFKGHFF
input PDB
Selected Chain(s) A,C,B,E,D,G,F,I,H,K,J,M,L,O,N,Q,P,S,R,T
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                                          (00:07:10)
[INFO]       Main:     Simulation completed successfully.                                          (00:07:16)
Show buried residues

Minimal score value
-1.6799
Maximal score value
3.5909
Average score
0.7639
Total score value
106.9469

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 0.8174
2 F A 0.0000
3 K A -0.7604
4 G A -0.4768
5 H A 0.4922
6 F A 2.5491
7 F A 3.5909
1 F B 0.6528
2 F B 0.0000
3 K B -0.9963
4 G B 0.0000
5 H B 0.0902
6 F B 1.9342
7 F B 2.8504
1 F C 0.8465
2 F C 0.0000
3 K C -0.9650
4 G C 0.0000
5 H C 0.1786
6 F C 1.8608
7 F C 3.3902
1 F D 0.7758
2 F D 0.0000
3 K D -0.9636
4 G D 0.0000
5 H D 0.4207
6 F D 2.4486
7 F D 3.2983
1 F E 0.7530
2 F E 0.0000
3 K E -1.0358
4 G E 0.0000
5 H E 0.4534
6 F E 2.3064
7 F E 3.3344
1 F F 1.7268
2 F F -0.0415
3 K F -1.5135
4 G F -0.5904
5 H F -0.0855
6 F F 2.5458
7 F F 3.0739
1 F G 1.9842
2 F G 0.3203
3 K G -1.4488
4 G G 0.0000
5 H G -0.5771
6 F G 1.7706
7 F G 2.8495
1 F H 0.0708
2 F H 0.0000
3 K H -1.2390
4 G H -0.3738
5 H H 0.5186
6 F H 2.4046
7 F H 3.2884
1 F I 0.8162
2 F I 0.0000
3 K I -1.3253
4 G I 0.0000
5 H I -0.3987
6 F I 2.1194
7 F I 3.2799
1 F J 0.8293
2 F J 0.0000
3 K J -1.0330
4 G J 0.0000
5 H J 0.1291
6 F J 2.1293
7 F J 3.3655
1 F K 0.3944
2 F K 0.0000
3 K K -1.0479
4 G K 0.0000
5 H K 0.1169
6 F K 2.1415
7 F K 3.2620
1 F L 0.5742
2 F L 0.0000
3 K L -0.9937
4 G L 0.0000
5 H L 0.5009
6 F L 2.4360
7 F L 3.2818
1 F M 0.6610
2 F M 0.0000
3 K M -1.1533
4 G M 0.0000
5 H M 0.3616
6 F M 2.3010
7 F M 3.3313
1 F N 0.9873
2 F N 0.0000
3 K N -0.9420
4 G N 0.0000
5 H N 0.1552
6 F N 2.0955
7 F N 3.2476
1 F O 1.0485
2 F O 0.0000
3 K O -0.6998
4 G O 0.0000
5 H O 0.5078
6 F O 2.1825
7 F O 3.3251
1 F P 1.0222
2 F P 0.0000
3 K P -0.8785
4 G P 0.0000
5 H P 0.4547
6 F P 2.1831
7 F P 2.9838
1 F Q 0.5148
2 F Q 0.0000
3 K Q -0.9013
4 G Q 0.0000
5 H Q 0.5708
6 F Q 2.2683
7 F Q 3.0635
1 F R 0.5008
2 F R 0.0000
3 K R -1.2310
4 G R 0.0000
5 H R 0.2487
6 F R 1.9173
7 F R 2.9413
1 F S 2.3400
2 F S 0.9942
3 K S -0.9222
4 G S -0.9201
5 H S -0.4404
6 F S 1.8855
7 F S 2.9375
1 F T 1.8559
2 F T 0.0089
3 K T -1.6799
4 G T -0.8934
5 H T -0.0729
6 F T 2.5916
7 F T 3.0867
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Laboratory of Theory of Biopolymers 2018