Project name: Oligomer AB42

Status: done

Started: 2025-07-26 08:31:31
Settings
Chain sequence(s) A: EVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA
C: EVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA
B: EVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA
E: EVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA
D: EVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA
G: EVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA
F: EVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA
I: EVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA
H: EVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA
K: EVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA
J: EVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA
M: EVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA
L: EVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA
O: EVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA
N: EVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA
Q: EVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA
P: EVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA
R: EVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA
input PDB
Selected Chain(s) A,C,B,E,D,G,F,I,H,K,J,M,L,O,N,Q,P,R
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                                          (00:10:04)
[INFO]       Main:     Simulation completed successfully.                                          (00:10:11)
Show buried residues
Minimal score value
-4.6673
Maximal score value
2.9826
Average score
-0.4097
Total score value
-236.0124
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
11 E A -0.9470
12 V A 0.3942
13 H A -0.5815
14 H A -1.1815
15 Q A -0.8665
16 K A -0.9946
17 L A 0.2544
18 V A 1.1724
19 F A 1.5072
20 F A 0.2474
21 A A -0.8357
22 E A -2.8703
23 D A -2.9742
24 V A -1.6866
25 G A -1.3425
26 S A -1.0610
27 N A -1.2631
28 K A -1.7300
29 G A -0.5807
30 A A 0.2429
31 I A 1.3299
32 I A 1.4179
33 G A 0.6042
34 L A 0.0000
35 M A 0.4144
36 V A 0.2833
37 G A -0.3041
38 G A -0.2258
39 V A 1.1023
40 V A 2.0388
41 I A 0.0000
42 A A 0.3112
11 E B -1.9950
12 V B -1.2560
13 H B -1.4090
14 H B -1.1127
15 Q B 0.0000
16 K B -0.8734
17 L B 0.0000
18 V B 0.0000
19 F B 0.0000
20 F B 0.0000
21 A B -0.6355
22 E B -2.0033
23 D B -2.6196
24 V B 0.0000
25 G B -1.0282
26 S B -1.0042
27 N B 0.0000
28 K B -1.5059
29 G B 0.0000
30 A B 0.0000
31 I B 0.0000
32 I B 0.0000
33 G B 0.0000
34 L B 0.0000
35 M B 0.0000
36 V B 0.0000
37 G B 0.0000
38 G B 0.2544
39 V B 0.0000
40 V B 1.8288
41 I B 0.0000
42 A B 0.4731
11 E C -1.2429
12 V C 0.2947
13 H C -0.3977
14 H C 0.0000
15 Q C 0.0000
16 K C -0.8999
17 L C 0.0000
18 V C 0.0000
19 F C 0.0000
20 F C 0.0000
21 A C -0.6836
22 E C -1.6194
23 D C -2.3245
24 V C 0.0000
25 G C -0.9793
26 S C -0.8692
27 N C 0.0000
28 K C -1.6846
29 G C 0.0000
30 A C 0.0000
31 I C 0.0000
32 I C 0.0000
33 G C 0.0000
34 L C 0.0000
35 M C 0.0000
36 V C 0.0000
37 G C 0.0000
38 G C 0.0000
39 V C 0.0000
40 V C 1.6994
41 I C 0.0000
42 A C 0.3180
11 E D -1.3727
12 V D 0.0971
13 H D -0.3563
14 H D -0.1722
15 Q D 0.0000
16 K D -0.8696
17 L D 0.0000
18 V D 0.0000
19 F D 0.0000
20 F D 0.0000
21 A D -1.0092
22 E D -2.0575
23 D D -2.4644
24 V D 0.0000
25 G D -1.0562
26 S D -0.9432
27 N D 0.0000
28 K D -1.6151
29 G D 0.0000
30 A D 0.0000
31 I D 0.0000
32 I D 0.0000
33 G D 0.0000
34 L D 0.0000
35 M D 0.0000
36 V D 0.0000
37 G D 0.0000
38 G D 0.0000
39 V D 0.0000
40 V D 1.2653
41 I D 0.0000
42 A D 0.2218
11 E E -1.0091
12 V E 0.7589
13 H E 0.1232
14 H E 0.0000
15 Q E 0.0000
16 K E -0.6241
17 L E 0.0000
18 V E 0.0000
19 F E 0.0000
20 F E 0.0000
21 A E -1.1516
22 E E -2.3094
23 D E -3.0803
24 V E 0.0000
25 G E -1.3288
26 S E -1.0266
27 N E 0.0000
28 K E -1.7000
29 G E 0.0000
30 A E 0.0000
31 I E 0.0000
32 I E 0.0000
33 G E 0.0000
34 L E 0.0000
35 M E 0.0000
36 V E 0.0000
37 G E 0.0000
38 G E -0.2515
39 V E 0.0000
40 V E 0.8919
41 I E 0.0000
42 A E 0.1342
11 E F -1.8514
12 V F -0.4442
13 H F -0.7103
14 H F 0.0000
15 Q F 0.0000
16 K F -0.5682
17 L F 0.0000
18 V F 0.0830
19 F F 0.0000
20 F F 0.0000
21 A F -1.3171
22 E F -2.8211
23 D F -3.4805
24 V F 0.0000
25 G F -1.3985
26 S F -1.0422
27 N F 0.0000
28 K F -1.7572
29 G F 0.0000
30 A F 0.0000
31 I F 0.0000
32 I F 0.0000
33 G F 0.0000
34 L F 0.0000
35 M F 0.0000
36 V F 0.0000
37 G F 0.0000
38 G F 0.0000
39 V F 0.0000
40 V F 0.6884
41 I F 0.0000
42 A F 0.1671
11 E G -1.7020
12 V G -0.8854
13 H G -0.9849
14 H G 0.0000
15 Q G 0.0000
16 K G -1.0670
17 L G 0.0000
18 V G 0.1767
19 F G 0.0000
20 F G 0.0000
21 A G -1.1797
22 E G -2.7650
23 D G -3.1972
24 V G 0.0000
25 G G -1.4037
26 S G -0.9542
27 N G 0.0000
28 K G -1.6901
29 G G 0.0000
30 A G 0.0000
31 I G 0.0000
32 I G 0.0000
33 G G 0.0000
34 L G 0.0000
35 M G 0.0000
36 V G 0.0000
37 G G 0.0000
38 G G 0.0000
39 V G 0.0000
40 V G 1.0801
41 I G 0.0000
42 A G 0.0359
11 E H -1.8067
12 V H -0.1126
13 H H -1.1206
14 H H -1.3174
15 Q H 0.0000
16 K H -1.3224
17 L H 0.0000
18 V H 0.0000
19 F H 0.0000
20 F H 0.0000
21 A H -1.0546
22 E H -2.7095
23 D H -3.5315
24 V H 0.0000
25 G H -1.4196
26 S H -1.3400
27 N H 0.0000
28 K H -2.3590
29 G H 0.0000
30 A H 0.0000
31 I H 0.0000
32 I H 0.0000
33 G H 0.0000
34 L H 0.0000
35 M H 0.0000
36 V H 0.0000
37 G H 0.0000
38 G H 0.0000
39 V H 0.0000
40 V H 1.5466
41 I H 0.0000
42 A H 0.5184
11 E I -1.5038
12 V I -0.3049
13 H I -1.6853
14 H I -1.6139
15 Q I 0.0000
16 K I -1.6427
17 L I -0.1392
18 V I 1.0949
19 F I 1.6106
20 F I 0.7777
21 A I -0.5276
22 E I -2.6840
23 D I -3.3381
24 V I -1.6349
25 G I -1.1590
26 S I -1.3800
27 N I -1.5634
28 K I -2.1266
29 G I -0.6313
30 A I 0.0000
31 I I 0.9425
32 I I 0.0000
33 G I 0.7881
34 L I 1.3256
35 M I 0.4450
36 V I 0.2169
37 G I 0.0000
38 G I 0.0000
39 V I 1.1932
40 V I 2.3423
41 I I 1.8344
42 A I 0.5729
11 E J -2.2653
12 V J -0.9545
13 H J -1.8213
14 H J -1.8415
15 Q J -1.1519
16 K J -1.0871
17 L J 0.4698
18 V J 0.9575
19 F J 1.0914
20 F J -0.4458
21 A J -1.7522
22 E J -3.3123
23 D J -3.9311
24 V J -2.8975
25 G J -2.1355
26 S J -1.6425
27 N J -1.8592
28 K J -2.1383
29 G J 0.0000
30 A J 0.0337
31 I J 1.3152
32 I J 2.0439
33 G J 1.3895
34 L J 1.3357
35 M J 1.4099
36 V J 0.9900
37 G J 0.0000
38 G J 0.1683
39 V J 1.2044
40 V J 2.1815
41 I J 1.3110
42 A J 0.4199
11 E K -1.5636
12 V K -0.8714
13 H K -0.8939
14 H K -1.4274
15 Q K 0.0000
16 K K 0.0000
17 L K 0.0000
18 V K 0.2723
19 F K 0.0000
20 F K 0.0000
21 A K 0.0000
22 E K -3.7768
23 D K -4.3964
24 V K 0.0000
25 G K -1.9168
26 S K -1.4254
27 N K 0.0000
28 K K -2.1955
29 G K 0.0000
30 A K 0.0000
31 I K 0.0000
32 I K 0.0000
33 G K 0.0000
34 L K 0.0000
35 M K 0.0000
36 V K 0.0000
37 G K 0.0000
38 G K 0.1343
39 V K 0.0000
40 V K 1.8323
41 I K 0.0000
42 A K 0.3931
11 E L -1.3279
12 V L 0.2253
13 H L -0.0604
14 H L -0.4540
15 Q L 0.0000
16 K L -1.0099
17 L L 0.0000
18 V L 0.0000
19 F L 0.0000
20 F L 0.0000
21 A L -1.9612
22 E L -3.4820
23 D L -4.4038
24 V L 0.0000
25 G L -2.0621
26 S L -1.2253
27 N L 0.0000
28 K L -1.9103
29 G L 0.0000
30 A L 0.0000
31 I L 0.0000
32 I L 0.0000
33 G L 0.0000
34 L L 0.0000
35 M L 0.0000
36 V L 0.0000
37 G L 0.0000
38 G L 0.0270
39 V L 0.0000
40 V L 1.4928
41 I L 0.0000
42 A L 0.2689
11 E M -2.2710
12 V M -1.0006
13 H M -0.8820
14 H M 0.0000
15 Q M 0.0000
16 K M -0.4725
17 L M 0.0000
18 V M 0.1352
19 F M 0.0000
20 F M 0.0000
21 A M 0.0000
22 E M -3.6642
23 D M -4.3812
24 V M 0.0000
25 G M -1.9278
26 S M -0.9792
27 N M 0.0000
28 K M -1.4920
29 G M 0.0000
30 A M 0.0000
31 I M 0.0000
32 I M 0.0000
33 G M 0.0000
34 L M 0.0000
35 M M 0.0000
36 V M 0.0000
37 G M 0.0000
38 G M -0.0028
39 V M 0.0000
40 V M 1.3831
41 I M 0.0000
42 A M 0.3140
11 E N -1.7756
12 V N -0.1295
13 H N -0.4315
14 H N 0.0000
15 Q N 0.0000
16 K N -0.5453
17 L N 0.0000
18 V N 0.1926
19 F N 0.0000
20 F N 0.0000
21 A N -1.9094
22 E N -3.5313
23 D N -4.3593
24 V N 0.0000
25 G N -1.9850
26 S N -1.0754
27 N N 0.0000
28 K N -1.5468
29 G N 0.0000
30 A N 0.0000
31 I N 0.0000
32 I N 0.0000
33 G N 0.0000
34 L N 0.0000
35 M N 0.0000
36 V N 0.0000
37 G N 0.0000
38 G N 0.0000
39 V N 0.0000
40 V N 1.4558
41 I N 0.0000
42 A N 0.1842
11 E O -1.4613
12 V O -0.3638
13 H O -0.3737
14 H O -0.3618
15 Q O 0.0000
16 K O -0.8375
17 L O 0.0000
18 V O 0.1695
19 F O 0.0000
20 F O 0.0000
21 A O 0.0000
22 E O -3.6336
23 D O -4.4590
24 V O 0.0000
25 G O -2.0697
26 S O -1.1567
27 N O 0.0000
28 K O -2.1063
29 G O 0.0000
30 A O 0.0000
31 I O 0.0000
32 I O 0.0000
33 G O 0.0000
34 L O 0.0000
35 M O 0.0000
36 V O 0.0000
37 G O 0.0000
38 G O 0.2667
39 V O 0.0000
40 V O 1.3966
41 I O 0.0000
42 A O 0.2123
11 E P -1.7745
12 V P -0.1798
13 H P 0.0000
14 H P -0.4237
15 Q P 0.0000
16 K P -1.1017
17 L P 0.0000
18 V P 0.3330
19 F P 0.0000
20 F P 0.0000
21 A P -2.3250
22 E P -4.1183
23 D P -4.6673
24 V P 0.0000
25 G P -2.0556
26 S P -1.2045
27 N P 0.0000
28 K P -1.7879
29 G P 0.0000
30 A P 0.0000
31 I P 0.0000
32 I P 0.0000
33 G P 0.0000
34 L P 0.0000
35 M P 0.0000
36 V P 0.0000
37 G P 0.0000
38 G P 0.1773
39 V P 0.0000
40 V P 1.5882
41 I P 0.0000
42 A P 0.2397
11 E Q -2.0984
12 V Q 0.0000
13 H Q -1.8838
14 H Q -1.4627
15 Q Q 0.0000
16 K Q -1.1770
17 L Q 0.0000
18 V Q 0.9530
19 F Q 0.0000
20 F Q 0.0000
21 A Q -1.7477
22 E Q -4.1264
23 D Q -4.5507
24 V Q 0.0000
25 G Q -2.1558
26 S Q -1.2889
27 N Q 0.0000
28 K Q -2.4562
29 G Q 0.0000
30 A Q 0.0000
31 I Q 0.0000
32 I Q 0.0000
33 G Q 0.0000
34 L Q 0.0000
35 M Q 0.0000
36 V Q 0.0000
37 G Q 0.0000
38 G Q 0.0000
39 V Q 0.0000
40 V Q 2.2075
41 I Q 0.0000
42 A Q 0.4851
11 E R -1.3666
12 V R -0.3219
13 H R -1.8595
14 H R -2.1093
15 Q R -1.4380
16 K R -1.4422
17 L R 0.5278
18 V R 2.1636
19 F R 2.1140
20 F R 1.3425
21 A R -0.5420
22 E R -3.5926
23 D R -3.5377
24 V R -1.8241
25 G R -1.5324
26 S R -1.2453
27 N R 0.0000
28 K R -2.1472
29 G R -0.4019
30 A R 0.0000
31 I R 0.9111
32 I R 1.0280
33 G R 0.5007
34 L R 0.7601
35 M R 0.2081
36 V R 0.3791
37 G R 0.0000
38 G R 0.2685
39 V R 1.9695
40 V R 2.9826
41 I R 2.0960
42 A R 0.9207
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Laboratory of Theory of Biopolymers 2018