Project name: 79f70f644271f4e

Status: done

Started: 2024-06-18 14:05:51
Settings
Chain sequence(s) A: QRLANFLVHHSGNNFGAILSSTNVGSNTY
C: QRLANFLVHHSGNNFGAILSSTNVGSNTY
B: QRLANFLVHHSGNNFGAILSSTNVGSNTY
E: QRLANFLVHHSGNNFGAILSSTNVGSNTY
D: QRLANFLVHHSGNNFGAILSSTNVGSNTY
G: QRLANFLVHHSGNNFGAILSSTNVGSNTY
F: QRLANFLVHHSGNNFGAILSSTNVGSNTY
I: QRLANFLVHHSGNNFGAILSSTNVGSNTY
H: QRLANFLVHHSGNNFGAILSSTNVGSNTY
J: QRLANFLVHHSGNNFGAILSSTNVGSNTY
input PDB
Selected Chain(s) A,C,B,E,D,G,F,I,H,J
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                                          (00:02:58)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:01)
Show buried residues
Minimal score value
-2.7802
Maximal score value
1.8563
Average score
-0.0905
Total score value
-25.3289
Download the table (csv)

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
10 Q A -2.3601
11 R A -2.0613
12 L A -0.0892
13 A A -0.1991
14 N A -0.3348
15 F A 0.9331
16 L A 1.5964
17 V A 0.8760
18 H A -0.8967
19 S A -1.2511
20 G A -1.6679
21 N A -1.3311
22 N A 0.0000
23 F A 1.8530
24 G A 0.6018
25 A A 0.5674
26 I A 0.6699
27 L A 0.6385
28 S A 0.1330
29 S A -0.1488
30 T A 0.1785
31 N A 0.6582
32 V A 1.5255
33 G A 0.4079
34 S A -0.0869
35 N A -0.4528
36 T A -0.2295
37 Y A 0.0773
10 Q B -2.5054
11 R B -2.2132
12 L B -0.1667
13 A B -0.2492
14 N B -0.4063
15 F B 0.7099
16 L B 1.4869
17 V B 0.8300
18 H B -0.8703
19 S B -1.1906
20 G B -1.5823
21 N B -1.2883
22 N B 0.0000
23 F B 1.8255
24 G B 0.5607
25 A B 0.5201
26 I B 0.6137
27 L B 0.5332
28 S B 0.0578
29 S B 0.0000
30 T B 0.2666
31 N B 0.9265
32 V B 1.5425
33 G B 0.5072
34 S B 0.1032
35 N B -0.1794
36 T B -0.2437
37 Y B 0.0000
10 Q C -2.5193
11 R C -1.7280
12 L C -0.4866
13 A C 0.0000
14 N C -0.1423
15 F C 0.0000
16 L C 0.8197
17 V C 0.0000
18 H C -0.7160
19 S C 0.0000
20 G C -1.5594
21 N C -0.9063
22 N C 0.0000
23 F C 1.7032
24 G C 1.0120
25 A C 0.0000
26 I C 0.0000
27 L C 0.0000
28 S C 0.0000
29 S C 0.0000
30 T C 0.2327
31 N C 0.0000
32 V C 1.0529
33 G C 0.0000
34 S C 0.1754
35 N C 0.0000
36 T C -0.1718
37 Y C 0.0000
10 Q D -2.7802
11 R D -2.2287
12 L D -0.6490
13 A D 0.0000
14 N D -0.1592
15 F D 0.0000
16 L D 0.7596
17 V D 0.0000
18 H D -0.6155
19 S D 0.0000
20 G D -1.4093
21 N D -0.6864
22 N D 0.0000
23 F D 1.6070
24 G D 0.9663
25 A D 0.0000
26 I D 0.0000
27 L D 0.0000
28 S D 0.0000
29 S D 0.0000
30 T D 0.3268
31 N D 0.0000
32 V D 1.1053
33 G D 0.0000
34 S D 0.2367
35 N D 0.0000
36 T D -0.1774
37 Y D 0.0000
10 Q E -2.4297
11 R E 0.0000
12 L E -0.1039
13 A E 0.0000
14 N E -0.4650
15 F E 0.0000
16 L E 0.6111
17 V E 0.0000
18 H E -0.6695
19 S E 0.0000
20 G E -1.1977
21 N E -0.7166
22 N E 0.0000
23 F E 1.6850
24 G E 0.9714
25 A E 0.0000
26 I E 0.0000
27 L E 0.0000
28 S E 0.0000
29 S E 0.0000
30 T E 0.1806
31 N E 0.0000
32 V E 0.9305
33 G E 0.0000
34 S E 0.0305
35 N E 0.0000
36 T E -0.0786
37 Y E 0.0000
10 Q F -2.5692
11 R F 0.0000
12 L F -0.2077
13 A F 0.0000
14 N F -0.4495
15 F F 0.0000
16 L F 0.6060
17 V F 0.0000
18 H F -0.6386
19 S F 0.0000
20 G F -1.0424
21 N F -0.6504
22 N F 0.0000
23 F F 1.8563
24 G F 1.0232
25 A F 0.0000
26 I F 0.0000
27 L F 0.0000
28 S F 0.0000
29 S F 0.0000
30 T F 0.1680
31 N F 0.0000
32 V F 0.9033
33 G F 0.0000
34 S F 0.0017
35 N F 0.0000
36 T F -0.0420
37 Y F 0.0000
10 Q G -2.6811
11 R G -2.0734
12 L G -0.6154
13 A G 0.0000
14 N G -0.0536
15 F G 0.0000
16 L G 0.8135
17 V G 0.0000
18 H G -0.5343
19 S G 0.0000
20 G G -1.6692
21 N G -1.0887
22 N G 0.0000
23 F G 1.4547
24 G G 0.9358
25 A G 0.0000
26 I G 0.0000
27 L G 0.0000
28 S G 0.0000
29 S G 0.0000
30 T G 0.1646
31 N G 0.0000
32 V G 0.7592
33 G G 0.0000
34 S G 0.0233
35 N G 0.0000
36 T G 0.0697
37 Y G 0.0000
10 Q H -2.6957
11 R H -2.1477
12 L H -0.5952
13 A H 0.0000
14 N H -0.0774
15 F H 0.0000
16 L H 0.7597
17 V H 0.0000
18 H H -0.5352
19 S H 0.0000
20 G H -1.5614
21 N H -0.9278
22 N H 0.0000
23 F H 1.7520
24 G H 1.0752
25 A H 0.0000
26 I H 0.0000
27 L H 0.0000
28 S H 0.0000
29 S H 0.0000
30 T H -0.1445
31 N H 0.0000
32 V H 0.4312
33 G H 0.0000
34 S H -0.0917
35 N H 0.0000
36 T H 0.2033
37 Y H 0.5514
10 Q I -2.4540
11 R I -2.1645
12 L I -0.0661
13 A I -0.0378
14 N I -0.0482
15 F I 0.9462
16 L I 1.3984
17 V I 0.8772
18 H I -0.7342
19 S I -1.5055
20 G I -1.9182
21 N I -1.8764
22 N I -0.9334
23 F I 1.3724
24 G I 0.6645
25 A I 0.3906
26 I I 0.5091
27 L I 0.6632
28 S I 0.0481
29 S I -0.1687
30 T I -0.0562
31 N I 0.1353
32 V I 0.6523
33 G I 0.0463
34 S I -0.1136
35 N I -0.0935
36 T I 0.1820
37 Y I 0.8215
10 Q J -2.4703
11 R J -2.1057
12 L J 0.0040
13 A J 0.0545
14 N J -0.0360
15 F J 0.9685
16 L J 1.3284
17 V J 0.8320
18 H J -0.7738
19 S J -1.4788
20 G J -1.8265
21 N J -1.7316
22 N J -0.7554
23 F J 1.5270
24 G J 0.7861
25 A J 0.5006
26 I J 0.6932
27 L J 0.9726
28 S J 0.1923
29 S J -0.2799
30 T J -0.3686
31 N J -0.5747
32 V J 0.3343
33 G J -0.1508
34 S J -0.3425
35 N J -0.1995
36 T J 0.3006
37 Y J 1.2684
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Laboratory of Theory of Biopolymers 2018