Project name: 52bb4de1e230bd6

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

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:00)
[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                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:08:19)
[INFO]       Main:     Simulation completed successfully.                                          (00:08:24)

• Minimal score value: -5.1633
• Maximal score value: 3.1773
• Average score: -0.7787
• Total score value: -261.6449

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
1	D	A	-3.0931
2	A	A	-1.9024
3	E	A	-1.9796
4	F	A	-0.1024
5	R	A	-1.9206
6	H	A	-2.3114
7	D	A	-2.9656
8	S	A	-1.6537
9	G	A	-0.8217
10	Y	A	0.6046
11	E	A	-0.6346
12	V	A	0.1785
13	H	A	-1.2782
14	H	A	-1.9248
15	Q	A	-2.0212
16	K	A	-2.2332
17	L	A	-0.3299
18	V	A	1.0684
19	F	A	1.8962
20	F	A	1.9533
21	A	A	-0.6475
22	E	A	-3.4054
23	D	A	-4.0250
24	V	A	-2.1678
25	G	A	-1.7707
26	S	A	-1.5154
27	N	A	-2.9166
28	K	A	-3.0259
29	G	A	-1.1169
30	A	A	-0.6087
31	I	A	1.2347
32	I	A	0.9136
33	G	A	0.9094
34	L	A	0.9967
35	M	A	1.0647
36	V	A	0.6939
37	G	A	0.0472
38	G	A	0.7785
39	V	A	2.5698
40	V	A	2.7253
41	I	A	3.1021
42	A	A	1.0665
1	D	B	-3.6397
2	A	B	-2.4060
3	E	B	-2.2223
4	F	B	-0.8001
5	R	B	-1.9332
6	H	B	-2.1134
7	D	B	-2.7313
8	S	B	-1.5781
9	G	B	-0.9934
10	Y	B	0.1898
11	E	B	-0.6175
12	V	B	-0.3189
13	H	B	-1.1669
14	H	B	-1.6627
15	Q	B	-2.0821
16	K	B	-1.9706
17	L	B	0.0000
18	V	B	0.6679
19	F	B	0.0000
20	F	B	1.2031
21	A	B	0.0000
22	E	B	-4.4212
23	D	B	-5.1187
24	V	B	0.0000
25	G	B	-2.0651
26	S	B	0.0000
27	N	B	-2.8857
28	K	B	-3.1867
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	-0.2090
38	G	B	0.0000
39	V	B	1.9247
40	V	B	0.0000
41	I	B	2.5326
42	A	B	0.9046
1	D	C	-3.6429
2	A	C	-2.3487
3	E	C	-2.2136
4	F	C	-0.8973
5	R	C	-1.8435
6	H	C	-1.7805
7	D	C	-2.3132
8	S	C	-1.3721
9	G	C	-0.8741
10	Y	C	-0.0797
11	E	C	-0.8353
12	V	C	-0.3829
13	H	C	-1.0055
14	H	C	-1.3330
15	Q	C	-1.4929
16	K	C	-1.6121
17	L	C	0.0000
18	V	C	0.4532
19	F	C	0.0000
20	F	C	0.8003
21	A	C	0.0000
22	E	C	-4.4675
23	D	C	-5.1633
24	V	C	0.0000
25	G	C	-1.9031
26	S	C	0.0000
27	N	C	-2.2825
28	K	C	-2.8092
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	-0.6192
38	G	C	0.0000
39	V	C	1.4826
40	V	C	0.0000
41	I	C	2.0051
42	A	C	0.5663
1	D	D	-3.3966
2	A	D	-2.2006
3	E	D	-1.8435
4	F	D	-0.6235
5	R	D	0.0000
6	H	D	-1.6583
7	D	D	-2.0624
8	S	D	-1.2809
9	G	D	-0.9172
10	Y	D	-0.0531
11	E	D	-0.6767
12	V	D	-0.3401
13	H	D	-0.9106
14	H	D	-1.1800
15	Q	D	-1.3822
16	K	D	-1.4210
17	L	D	0.0000
18	V	D	0.4421
19	F	D	0.0000
20	F	D	0.7786
21	A	D	0.0000
22	E	D	-4.3152
23	D	D	-5.0314
24	V	D	0.0000
25	G	D	-1.8364
26	S	D	0.0000
27	N	D	-2.2887
28	K	D	-2.7477
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	-0.5917
38	G	D	0.0000
39	V	D	1.3411
40	V	D	0.0000
41	I	D	1.8984
42	A	D	0.5223
1	D	E	-3.5452
2	A	E	-2.1437
3	E	E	-1.8425
4	F	E	-0.5826
5	R	E	-1.5534
6	H	E	-1.6931
7	D	E	-2.1694
8	S	E	-1.2874
9	G	E	-0.8360
10	Y	E	-0.0726
11	E	E	-0.6909
12	V	E	-0.3257
13	H	E	-0.8595
14	H	E	-1.1198
15	Q	E	-1.3501
16	K	E	-1.3945
17	L	E	0.0000
18	V	E	0.4321
19	F	E	0.0000
20	F	E	0.8163
21	A	E	0.0000
22	E	E	-4.1583
23	D	E	-5.0329
24	V	E	0.0000
25	G	E	-1.8459
26	S	E	0.0000
27	N	E	-2.3154
28	K	E	-2.9328
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	-0.5944
38	G	E	0.0000
39	V	E	1.3582
40	V	E	0.0000
41	I	E	1.9016
42	A	E	0.5419
1	D	F	-3.6736
2	A	F	-2.3521
3	E	F	-2.1827
4	F	F	-0.5628
5	R	F	-1.3528
6	H	F	-1.4046
7	D	F	-1.7637
8	S	F	-1.0989
9	G	F	-0.8563
10	Y	F	-0.1218
11	E	F	-0.7437
12	V	F	-0.2937
13	H	F	-0.9227
14	H	F	-1.1210
15	Q	F	-1.5154
16	K	F	-1.6909
17	L	F	0.0000
18	V	F	0.5679
19	F	F	0.0000
20	F	F	0.8201
21	A	F	0.0000
22	E	F	-4.2492
23	D	F	-4.9939
24	V	F	0.0000
25	G	F	-1.9095
26	S	F	0.0000
27	N	F	-2.4347
28	K	F	-2.7852
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	-0.5926
38	G	F	0.0000
39	V	F	1.4758
40	V	F	0.0000
41	I	F	2.0288
42	A	F	0.5632
1	D	G	-3.8907
2	A	G	-2.6990
3	E	G	-2.8966
4	F	G	-1.2906
5	R	G	-2.2604
6	H	G	-2.0045
7	D	G	-2.3862
8	S	G	-1.3684
9	G	G	-1.0100
10	Y	G	-0.1595
11	E	G	-1.0585
12	V	G	-0.7084
13	H	G	-1.5069
14	H	G	-1.8408
15	Q	G	-2.1243
16	K	G	-1.8319
17	L	G	0.0000
18	V	G	1.2912
19	F	G	0.0000
20	F	G	1.4910
21	A	G	0.0000
22	E	G	-3.6846
23	D	G	-4.6020
24	V	G	0.0000
25	G	G	-1.7653
26	S	G	0.0000
27	N	G	-2.7259
28	K	G	-2.9988
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	-0.2970
38	G	G	0.0000
39	V	G	2.0649
40	V	G	0.0000
41	I	G	2.5629
42	A	G	0.9288
1	D	H	-3.2068
2	A	H	-2.0870
3	E	H	-2.7677
4	F	H	-1.2560
5	R	H	-3.0367
6	H	H	-2.8062
7	D	H	-3.2226
8	S	H	-1.6663
9	G	H	-0.9824
10	Y	H	0.1797
11	E	H	-1.4682
12	V	H	-0.8629
13	H	H	-2.0351
14	H	H	-2.2164
15	Q	H	-2.6916
16	K	H	-2.1019
17	L	H	0.5516
18	V	H	2.4476
19	F	H	2.8692
20	F	H	1.7920
21	A	H	-0.5871
22	E	H	-3.1438
23	D	H	-3.4649
24	V	H	-1.3857
25	G	H	-1.4013
26	S	H	-1.5960
27	N	H	-2.8368
28	K	H	-3.0407
29	G	H	-1.3580
30	A	H	-1.2318
31	I	H	0.4814
32	I	H	0.8284
33	G	H	1.0129
34	L	H	1.1173
35	M	H	0.7850
36	V	H	0.3665
37	G	H	-0.0349
38	G	H	0.8453
39	V	H	2.7316
40	V	H	2.7614
41	I	H	3.1773
42	A	H	1.1389