Project name: cb70f05ac9abad0

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; L: EVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA
Selected Chain(s)	A,C,B,E,D,G,F,I,H,K,J,L
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No

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                                          (00:10:21)
[INFO]       Main:     Simulation completed successfully.                                          (00:10:27)

• Minimal score value: -4.3993
• Maximal score value: 2.8299
• Average score: -0.4047
• Total score value: -155.3885

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
11	E	A	-1.8780
12	V	A	0.2005
13	H	A	-1.1635
14	H	A	-1.9660
15	Q	A	-2.8242
16	K	A	-2.4849
17	L	A	-0.2568
18	V	A	1.2956
19	F	A	2.3300
20	F	A	1.1306
21	A	A	-1.1107
22	E	A	-3.2357
23	D	A	-3.5320
24	V	A	-1.7376
25	G	A	-1.2423
26	S	A	-1.2552
27	N	A	-1.6080
28	K	A	-1.8622
29	G	A	-0.4650
30	A	A	0.3433
31	I	A	1.6039
32	I	A	1.6826
33	G	A	1.0227
34	L	A	2.1958
35	M	A	1.8689
36	V	A	2.2692
37	G	A	0.8323
38	G	A	0.7417
39	V	A	2.0546
40	V	A	2.6728
41	I	A	0.0000
42	A	A	0.4196
11	E	B	-2.7538
12	V	B	-1.0511
13	H	B	-1.4063
14	H	B	-1.6007
15	Q	B	-2.5885
16	K	B	-2.4410
17	L	B	0.0000
18	V	B	0.8761
19	F	B	0.0000
20	F	B	0.0000
21	A	B	-1.5838
22	E	B	-3.6125
23	D	B	-4.3993
24	V	B	0.0000
25	G	B	-1.7235
26	S	B	-1.1747
27	N	B	0.0000
28	K	B	-1.2248
29	G	B	0.0000
30	A	B	0.0000
31	I	B	0.0000
32	I	B	0.0000
33	G	B	1.1935
34	L	B	1.5666
35	M	B	0.0000
36	V	B	1.5493
37	G	B	0.4332
38	G	B	0.8101
39	V	B	1.5297
40	V	B	2.3576
41	I	B	0.0000
42	A	B	0.6324
11	E	C	-3.1672
12	V	C	-1.0311
13	H	C	-1.3374
14	H	C	-1.2918
15	Q	C	-2.1001
16	K	C	-2.1654
17	L	C	0.0000
18	V	C	0.2739
19	F	C	0.0000
20	F	C	0.0000
21	A	C	-1.6627
22	E	C	-3.4274
23	D	C	-4.2549
24	V	C	0.0000
25	G	C	-1.6652
26	S	C	-0.8966
27	N	C	0.0000
28	K	C	-0.7234
29	G	C	0.0000
30	A	C	0.0000
31	I	C	0.3318
32	I	C	0.0000
33	G	C	0.7589
34	L	C	1.3783
35	M	C	0.0000
36	V	C	1.3155
37	G	C	-0.0181
38	G	C	0.0957
39	V	C	0.9335
40	V	C	1.8773
41	I	C	0.0000
42	A	C	0.5188
11	E	D	-2.9604
12	V	D	-0.7764
13	H	D	-1.0685
14	H	D	-0.9323
15	Q	D	-1.8718
16	K	D	-1.8505
17	L	D	0.0000
18	V	D	0.3323
19	F	D	0.0000
20	F	D	0.0000
21	A	D	-1.5767
22	E	D	-3.2289
23	D	D	-4.2426
24	V	D	0.0000
25	G	D	-1.6583
26	S	D	-0.8753
27	N	D	0.0000
28	K	D	-0.6946
29	G	D	0.0000
30	A	D	0.0000
31	I	D	0.0000
32	I	D	0.0000
33	G	D	0.7256
34	L	D	1.4334
35	M	D	0.0000
36	V	D	1.1546
37	G	D	-0.0780
38	G	D	0.2084
39	V	D	0.0000
40	V	D	1.6693
41	I	D	0.0000
42	A	D	0.4932
11	E	E	-2.7765
12	V	E	-0.4251
13	H	E	-0.7860
14	H	E	-0.7179
15	Q	E	-1.6855
16	K	E	-1.9515
17	L	E	-0.5297
18	V	E	0.4194
19	F	E	0.0000
20	F	E	0.0000
21	A	E	0.0000
22	E	E	-3.1512
23	D	E	-4.1741
24	V	E	0.0000
25	G	E	-1.7312
26	S	E	-1.0408
27	N	E	0.0000
28	K	E	-0.9467
29	G	E	0.0000
30	A	E	0.0000
31	I	E	0.0000
32	I	E	0.0000
33	G	E	0.7482
34	L	E	1.4929
35	M	E	0.0000
36	V	E	1.1816
37	G	E	-0.0541
38	G	E	-0.0180
39	V	E	0.0000
40	V	E	1.5489
41	I	E	0.0000
42	A	E	0.3516
11	E	F	-2.6588
12	V	F	-0.1901
13	H	F	-0.6410
14	H	F	-0.6355
15	Q	F	-1.6519
16	K	F	-1.7518
17	L	F	-0.4879
18	V	F	0.2762
19	F	F	0.0000
20	F	F	0.0000
21	A	F	-1.4879
22	E	F	-3.0686
23	D	F	-4.0101
24	V	F	0.0000
25	G	F	-1.7361
26	S	F	-1.1315
27	N	F	0.0000
28	K	F	-1.6063
29	G	F	0.0000
30	A	F	0.0000
31	I	F	0.0000
32	I	F	0.0000
33	G	F	0.7219
34	L	F	1.4230
35	M	F	0.0000
36	V	F	1.1910
37	G	F	-0.1450
38	G	F	0.0768
39	V	F	0.0000
40	V	F	1.3855
41	I	F	0.0000
42	A	F	0.3455
11	E	G	-2.5980
12	V	G	-0.0645
13	H	G	-0.5481
14	H	G	-0.5791
15	Q	G	-1.5294
16	K	G	-1.8993
17	L	G	-0.5008
18	V	G	0.2987
19	F	G	0.0000
20	F	G	0.0000
21	A	G	0.0000
22	E	G	-3.1169
23	D	G	-4.1377
24	V	G	0.0000
25	G	G	-1.7267
26	S	G	-1.1348
27	N	G	0.0000
28	K	G	-1.0726
29	G	G	0.0000
30	A	G	0.0000
31	I	G	0.0000
32	I	G	0.0000
33	G	G	0.6465
34	L	G	1.3373
35	M	G	0.0000
36	V	G	1.1846
37	G	G	-0.0603
38	G	G	-0.0291
39	V	G	0.0000
40	V	G	1.3131
41	I	G	0.0000
42	A	G	0.4048
11	E	H	-2.4606
12	V	H	0.1602
13	H	H	-0.4243
14	H	H	-0.5200
15	Q	H	-1.5654
16	K	H	-1.7724
17	L	H	-0.5007
18	V	H	0.1923
19	F	H	0.0000
20	F	H	0.0000
21	A	H	0.0000
22	E	H	-3.2568
23	D	H	-4.2289
24	V	H	0.0000
25	G	H	-1.8362
26	S	H	-1.0620
27	N	H	0.0000
28	K	H	-1.0423
29	G	H	0.0000
30	A	H	0.0000
31	I	H	0.0000
32	I	H	0.0000
33	G	H	0.6822
34	L	H	1.3885
35	M	H	0.0000
36	V	H	1.2436
37	G	H	-0.0780
38	G	H	0.1023
39	V	H	0.0000
40	V	H	1.3778
41	I	H	0.0000
42	A	H	0.3634
11	E	I	-2.3715
12	V	I	0.2227
13	H	I	-0.3688
14	H	I	-0.5234
15	Q	I	-1.5101
16	K	I	-1.6883
17	L	I	-0.4157
18	V	I	0.2604
19	F	I	0.0000
20	F	I	0.0000
21	A	I	-1.5997
22	E	I	-3.1754
23	D	I	-4.1969
24	V	I	0.0000
25	G	I	-1.6681
26	S	I	-1.1403
27	N	I	0.0000
28	K	I	-1.2551
29	G	I	0.0000
30	A	I	0.0000
31	I	I	0.0000
32	I	I	0.0000
33	G	I	0.6145
34	L	I	1.4657
35	M	I	0.0000
36	V	I	1.1293
37	G	I	-0.1376
38	G	I	0.2090
39	V	I	0.0000
40	V	I	1.5902
41	I	I	0.0000
42	A	I	0.3792
11	E	J	-2.6033
12	V	J	-0.0308
13	H	J	-0.8665
14	H	J	-0.9815
15	Q	J	-1.8538
16	K	J	-1.8238
17	L	J	-0.3542
18	V	J	0.2921
19	F	J	0.0000
20	F	J	0.0000
21	A	J	-1.6790
22	E	J	-3.1484
23	D	J	-4.0134
24	V	J	0.0000
25	G	J	-1.6358
26	S	J	-1.1323
27	N	J	0.0000
28	K	J	-1.4376
29	G	J	0.0000
30	A	J	0.0000
31	I	J	0.0000
32	I	J	0.0000
33	G	J	0.5593
34	L	J	1.3708
35	M	J	0.0000
36	V	J	1.1540
37	G	J	-0.1737
38	G	J	0.1540
39	V	J	0.0000
40	V	J	1.8302
41	I	J	0.0000
42	A	J	0.3742
11	E	K	-2.7016
12	V	K	-1.0498
13	H	K	-1.6952
14	H	K	-2.0102
15	Q	K	-2.8378
16	K	K	-2.0705
17	L	K	-0.2915
18	V	K	0.7559
19	F	K	0.0000
20	F	K	0.0000
21	A	K	-1.1421
22	E	K	-3.0760
23	D	K	-3.9305
24	V	K	0.0000
25	G	K	-1.5477
26	S	K	-1.3067
27	N	K	0.0000
28	K	K	-1.4324
29	G	K	0.0000
30	A	K	0.0000
31	I	K	0.0000
32	I	K	0.0000
33	G	K	0.9828
34	L	K	1.8439
35	M	K	0.0000
36	V	K	1.5292
37	G	K	0.2251
38	G	K	0.8271
39	V	K	0.0000
40	V	K	2.1339
41	I	K	0.0000
42	A	K	0.6625
11	E	L	-2.1800
12	V	L	-0.4828
13	H	L	-1.9105
14	H	L	-2.3477
15	Q	L	-2.9371
16	K	L	-2.1956
17	L	L	0.0586
18	V	L	1.5952
19	F	L	1.7515
20	F	L	1.7695
21	A	L	-0.2957
22	E	L	-2.8487
23	D	L	-3.2305
24	V	L	-1.3803
25	G	L	-1.0566
26	S	L	-1.2129
27	N	L	0.0000
28	K	L	-1.7161
29	G	L	-0.5756
30	A	L	0.0000
31	I	L	0.6404
32	I	L	1.3412
33	G	L	1.1687
34	L	L	2.2946
35	M	L	1.9101
36	V	L	1.8859
37	G	L	0.3111
38	G	L	0.5039
39	V	L	1.8132
40	V	L	2.8299
41	I	L	2.2258
42	A	L	0.8955