Project name: efd795c3caeafdb

Status: done

Started: 2025-02-13 13:36:25
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Chain sequence(s) A: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVV
C: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVV
B: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVV
E: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVV
D: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVV
G: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVV
F: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVV
I: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVV
H: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVV
input PDB
Selected Chain(s) A,C,B,E,D,G,F,I,H
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                                          (00:05:48)
[INFO]       Main:     Simulation completed successfully.                                          (00:05:52)
Show buried residues

Minimal score value
-3.8795
Maximal score value
2.9603
Average score
-0.3021
Total score value
-108.7506

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 D A -2.9905
2 A A -2.1747
3 E A -3.0530
4 F A -1.5099
5 R A -2.4793
6 H A -2.3623
7 D A 0.0000
8 S A -0.7406
9 G A -0.1633
10 Y A 1.0879
11 E A 0.6749
12 V A 1.3023
13 H A -0.4165
14 H A -1.8285
15 Q A -2.1767
16 K A -1.8735
17 L A 0.3595
18 V A 2.1047
19 F A 1.4950
20 F A 0.1169
21 A A -0.9143
22 E A -3.2093
23 D A -2.7261
24 V A -1.7886
25 G A 0.0000
26 S A -0.8160
27 N A -0.4470
28 K A -0.6394
29 G A -0.4055
30 A A 0.7936
31 I A 1.0174
32 I A 1.3741
33 G A 0.4359
34 L A 0.7945
35 M A 0.9650
36 V A 0.5866
37 G A -0.2929
38 G A 0.8544
39 V A 2.0548
40 V A 2.2128
1 D B -2.8627
2 A B -1.9757
3 E B -2.7606
4 F B -1.1399
5 R B -2.2714
6 H B -2.2045
7 D B 0.0000
8 S B -0.5488
9 G B -0.0328
10 Y B 1.2328
11 E B 0.5024
12 V B 0.7051
13 H B -0.8520
14 H B -2.1638
15 Q B -2.3177
16 K B -1.9870
17 L B 0.3008
18 V B 2.0346
19 F B 1.4517
20 F B 0.2105
21 A B -0.8252
22 E B -3.0247
23 D B -2.4285
24 V B -1.6210
25 G B 0.0000
26 S B -0.8222
27 N B -0.5972
28 K B -0.8643
29 G B -0.5109
30 A B 0.8727
31 I B 1.0421
32 I B 1.3705
33 G B 0.3235
34 L B 0.6674
35 M B 0.8673
36 V B 0.5529
37 G B -0.3820
38 G B 0.7354
39 V B 2.0252
40 V B 2.1455
1 D C -2.8461
2 A C -1.9415
3 E C -2.6742
4 F C -0.9595
5 R C -2.1731
6 H C -2.1164
7 D C 0.0000
8 S C -0.5598
9 G C 0.0207
10 Y C 1.3046
11 E C 0.8749
12 V C 1.4886
13 H C -0.4087
14 H C -1.9688
15 Q C -2.2926
16 K C -1.9903
17 L C 0.2886
18 V C 2.0421
19 F C 1.4539
20 F C 0.0973
21 A C -0.9505
22 E C -3.2320
23 D C -2.7725
24 V C -1.9021
25 G C 0.0000
26 S C -1.0339
27 N C -0.8090
28 K C -1.2193
29 G C -0.6800
30 A C 0.6758
31 I C 0.9133
32 I C 1.5929
33 G C 0.6772
34 L C 1.2060
35 M C 1.9177
36 V C 1.0713
37 G C -0.1580
38 G C 1.2032
39 V C 2.5198
40 V C 2.9603
1 D D -3.8795
2 A D -2.8122
3 E D -3.5698
4 F D -1.3848
5 R D -1.8353
6 H D -1.9840
7 D D 0.0000
8 S D -0.5061
9 G D 0.0000
10 Y D 1.0791
11 E D 0.6982
12 V D 0.7569
13 H D 0.0000
14 H D -1.8813
15 Q D 0.0000
16 K D -2.0855
17 L D 0.0000
18 V D 1.6226
19 F D 0.0000
20 F D 0.0000
21 A D -0.9853
22 E D -3.3255
23 D D 0.0000
24 V D 0.0000
25 G D 0.0000
26 S D 0.0000
27 N D 0.0000
28 K D 0.0000
29 G D -0.3879
30 A D 0.0000
31 I D 0.0000
32 I D 1.2645
33 G D 0.7441
34 L D 0.0000
35 M D 1.1703
36 V D 0.0000
37 G D 0.0000
38 G D 1.2686
39 V D 1.9270
40 V D 2.3356
1 D E -3.6714
2 A E -2.4025
3 E E -2.8648
4 F E -1.2146
5 R E -1.8090
6 H E -1.9561
7 D E 0.0000
8 S E -0.3470
9 G E 0.0000
10 Y E 1.7771
11 E E 1.0800
12 V E 0.8007
13 H E -0.9915
14 H E -2.4856
15 Q E 0.0000
16 K E -2.2330
17 L E 0.0000
18 V E 1.3993
19 F E 0.0000
20 F E 0.0000
21 A E -0.9161
22 E E -3.0799
23 D E 0.0000
24 V E 0.0000
25 G E 0.0000
26 S E 0.0000
27 N E 0.0000
28 K E 0.0000
29 G E -0.4550
30 A E 0.0000
31 I E 0.0000
32 I E 1.1567
33 G E 0.5287
34 L E 0.0000
35 M E 0.0000
36 V E 0.0000
37 G E 0.0000
38 G E 0.0000
39 V E 1.8026
40 V E 2.1012
1 D F -3.6607
2 A F -2.3609
3 E F -2.7158
4 F F -0.9813
5 R F -1.5206
6 H F -1.7263
7 D F 0.0000
8 S F -0.4407
9 G F 0.0000
10 Y F 1.1968
11 E F 0.9315
12 V F 0.9934
13 H F 0.0000
14 H F -2.3416
15 Q F 0.0000
16 K F -2.2586
17 L F 0.0000
18 V F 1.4633
19 F F 0.0000
20 F F 0.0000
21 A F -1.0123
22 E F -3.3248
23 D F 0.0000
24 V F 0.0000
25 G F 0.0000
26 S F 0.0000
27 N F 0.0000
28 K F 0.0000
29 G F -0.6042
30 A F 0.0000
31 I F 0.0000
32 I F 1.3504
33 G F 0.9706
34 L F 0.0000
35 M F 1.4671
36 V F 0.0000
37 G F 0.0000
38 G F 1.1437
39 V F 2.1245
40 V F 2.3377
1 D G -2.8668
2 A G -2.0201
3 E G -2.4259
4 F G -0.2433
5 R G -1.6621
6 H G -2.0342
7 D G -2.2921
8 S G -1.1858
9 G G 0.0000
10 Y G 0.8127
11 E G -0.0678
12 V G 0.5561
13 H G -0.9507
14 H G -1.8568
15 Q G -2.4137
16 K G -2.1096
17 L G -0.2284
18 V G 1.7060
19 F G 1.7333
20 F G 0.6948
21 A G -0.4048
22 E G -2.5372
23 D G -1.5689
24 V G -1.4504
25 G G -1.1174
26 S G 0.0000
27 N G -0.7501
28 K G -0.6053
29 G G -0.2363
30 A G 0.8695
31 I G 1.2140
32 I G 1.6722
33 G G 0.7950
34 L G 1.2672
35 M G 1.8800
36 V G 0.9365
37 G G -0.3789
38 G G 0.7471
39 V G 2.1769
40 V G 2.8228
1 D H -2.6785
2 A H -1.6967
3 E H -1.9782
4 F H -0.2266
5 R H -2.0469
6 H H -2.3423
7 D H -2.4716
8 S H -1.1368
9 G H 0.0000
10 Y H 1.3383
11 E H 0.7957
12 V H 1.0775
13 H H -0.9121
14 H H -2.0151
15 Q H -2.5850
16 K H -2.1971
17 L H -0.2649
18 V H 1.6519
19 F H 1.6672
20 F H 0.6657
21 A H -0.3886
22 E H -2.4556
23 D H -1.4677
24 V H -1.3268
25 G H -1.0972
26 S H 0.0000
27 N H -0.9146
28 K H -0.5918
29 G H -0.3008
30 A H 0.8574
31 I H 1.2153
32 I H 1.6415
33 G H 0.7979
34 L H 1.0837
35 M H 1.4203
36 V H 0.7318
37 G H -0.4944
38 G H 0.6994
39 V H 1.8990
40 V H 2.6542
1 D I -2.6602
2 A I -1.6640
3 E I -1.8260
4 F I 0.0131
5 R I -1.5942
6 H I -2.1098
7 D I -2.3512
8 S I -1.2294
9 G I 0.0000
10 Y I 0.8674
11 E I 0.0984
12 V I 0.7611
13 H I -0.8478
14 H I -1.9636
15 Q I -2.6536
16 K I -2.2490
17 L I -0.2667
18 V I 1.7112
19 F I 1.7121
20 F I 0.6908
21 A I -0.3992
22 E I -2.5104
23 D I -1.5189
24 V I -1.3298
25 G I -1.0899
26 S I 0.0000
27 N I -0.9141
28 K I -0.5819
29 G I -0.2679
30 A I 0.9135
31 I I 1.2574
32 I I 1.7492
33 G I 1.0206
34 L I 1.2596
35 M I 1.5558
36 V I 0.7859
37 G I -0.4951
38 G I 0.6238
39 V I 1.8691
40 V I 2.6276
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Laboratory of Theory of Biopolymers 2018