Project name: ac1889b993a1d90

Status: done

Started: 2026-02-25 23:36:48
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Chain sequence(s) A: ALVFFAEDCGSNKCAIIGLAV
C: ALVFFAEDCGSNKCAIIGLAV
B: ALVFFAEDCGSNKCAIIGLAV
E: ALVFFAEDCGSNKCAIIGLAV
D: ALVFFAEDCGSNKCAIIGLAV
F: ALVFFAEDCGSNKCAIIGLAV
input PDB
Selected Chain(s) A,C,B,E,D,F
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                                          (00:00:57)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:00)
Show buried residues

Minimal score value
-2.5008
Maximal score value
2.2933
Average score
0.3268
Total score value
41.177

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 A A 0.1893
2 L A 0.0000
3 V A 1.2541
4 F A 2.0251
5 F A 2.0790
6 A A 0.0000
7 E A 0.4951
8 D A -0.2569
9 C A -0.8911
10 G A -1.5900
11 S A -1.5472
12 N A -2.1790
13 K A -2.4146
14 C A -0.4675
15 A A 0.6467
16 I A 2.2576
17 I A 1.7377
18 G A 0.9826
19 L A 1.0890
20 A A 0.8819
21 V A 0.8881
1 A B 0.5624
2 L B 1.1875
3 V B 1.4990
4 F B 2.0819
5 F B 2.0407
6 A B 0.0000
7 E B 0.1961
8 D B -0.9737
9 C B -1.0908
10 G B -1.6792
11 S B -1.3989
12 N B -2.1690
13 K B -2.4685
14 C B -0.6191
15 A B 0.4249
16 I B 2.0992
17 I B 1.4908
18 G B 0.9984
19 L B 1.2761
20 A B 1.4999
21 V B 2.0151
1 A C 0.5888
2 L C 1.1640
3 V C 1.3184
4 F C 1.6732
5 F C 1.6966
6 A C 0.0000
7 E C 0.7013
8 D C 0.2792
9 C C -0.3800
10 G C -1.5095
11 S C -1.6812
12 N C -2.2924
13 K C -2.2724
14 C C -0.2947
15 A C 0.7568
16 I C 2.2825
17 I C 1.4946
18 G C 0.9446
19 L C 1.3222
20 A C 1.4201
21 V C 1.9814
1 A D 0.2867
2 L D 1.0219
3 V D 1.3077
4 F D 1.6473
5 F D 1.7403
6 A D 0.0000
7 E D 0.4276
8 D D -0.1400
9 C D -0.6332
10 G D -1.4791
11 S D -1.4697
12 N D -2.1954
13 K D -2.3764
14 C D -0.4497
15 A D 0.5604
16 I D 2.2590
17 I D 1.6102
18 G D 1.0153
19 L D 1.3742
20 A D 1.4168
21 V D 1.9571
1 A E 0.3055
2 L E 0.7908
3 V E 1.3495
4 F E 1.9895
5 F E 2.2043
6 A E 0.0000
7 E E 0.6456
8 D E 0.2718
9 C E -0.5694
10 G E -1.6385
11 S E -1.7304
12 N E -2.2008
13 K E -2.1128
14 C E -0.3444
15 A E 0.7310
16 I E 2.2933
17 I E 1.4935
18 G E 1.0872
19 L E 1.5182
20 A E 1.3282
21 V E 1.8981
1 A F 0.2432
2 L F 0.0000
3 V F 1.1949
4 F F 1.6335
5 F F 1.7452
6 A F 0.0000
7 E F 0.3311
8 D F -0.6583
9 C F -1.1527
10 G F -1.5222
11 S F -1.6102
12 N F -2.2956
13 K F -2.5008
14 C F -0.7740
15 A F 0.3902
16 I F 2.2125
17 I F 1.5713
18 G F 0.8763
19 L F 1.1858
20 A F 0.8607
21 V F 0.9087
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Laboratory of Theory of Biopolymers 2018