Project name: 9a5401d72b9d791

Chain sequence(s)	A: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA; C: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA; B: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA; D: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA
Selected Chain(s)	A,C,B,D
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                                          (00:03:07)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:09)

• Minimal score value: -4.9384
• Maximal score value: 3.1582
• Average score: -0.6785
• Total score value: -113.9876

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	-2.9650
2	A	A	-1.7633
3	E	A	-1.4185
4	F	A	0.5420
5	R	A	-1.6169
6	H	A	-2.1860
7	D	A	-2.5170
8	S	A	-1.4496
9	G	A	-0.8665
10	Y	A	-0.1549
11	E	A	-1.6976
12	V	A	-1.1547
13	H	A	-2.2139
14	H	A	-2.4498
15	Q	A	-2.5348
16	K	A	-2.1850
17	L	A	0.3335
18	V	A	1.8493
19	F	A	3.1582
20	F	A	1.8140
21	A	A	-0.7265
22	E	A	-3.1451
23	D	A	-3.3241
24	V	A	-1.1605
25	G	A	-1.3907
26	S	A	-1.7692
27	N	A	-2.9405
28	K	A	-3.3756
29	G	A	-1.7413
30	A	A	-0.2396
31	I	A	0.4699
32	I	A	0.9502
33	G	A	1.2477
34	L	A	1.2340
35	M	A	0.7544
36	V	A	0.6464
37	G	A	0.1975
38	G	A	0.8665
39	V	A	2.6670
40	V	A	2.5054
41	I	A	3.0211
42	A	A	1.0166
1	D	B	-3.6288
2	A	B	-2.0873
3	E	B	-1.5137
4	F	B	0.1917
5	R	B	-1.5201
6	H	B	-1.8772
7	D	B	-2.0571
8	S	B	-1.2755
9	G	B	-0.9055
10	Y	B	-0.4642
11	E	B	-1.4371
12	V	B	-0.8488
13	H	B	-1.6589
14	H	B	-2.1567
15	Q	B	-2.3996
16	K	B	-2.1743
17	L	B	0.0000
18	V	B	1.1778
19	F	B	0.0000
20	F	B	1.5153
21	A	B	0.0000
22	E	B	-3.6791
23	D	B	-4.5055
24	V	B	0.0000
25	G	B	-1.7502
26	S	B	0.0000
27	N	B	-3.2206
28	K	B	-3.5183
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	0.4285
37	G	B	0.2215
38	G	B	0.7769
39	V	B	2.1555
40	V	B	0.0000
41	I	B	2.7136
42	A	B	0.9289
1	D	C	-3.6708
2	A	C	-2.0660
3	E	C	-1.7482
4	F	C	-0.0231
5	R	C	-1.8034
6	H	C	-2.0658
7	D	C	-2.2740
8	S	C	-1.2039
9	G	C	-0.8772
10	Y	C	-0.1239
11	E	C	-0.7946
12	V	C	-0.1374
13	H	C	-1.1913
14	H	C	-1.7876
15	Q	C	-2.3931
16	K	C	-2.4306
17	L	C	0.0000
18	V	C	0.7284
19	F	C	0.0000
20	F	C	1.2924
21	A	C	0.0000
22	E	C	-4.2668
23	D	C	-4.9384
24	V	C	0.0000
25	G	C	-2.0894
26	S	C	0.0000
27	N	C	-3.3990
28	K	C	-3.4503
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	0.4987
37	G	C	0.2565
38	G	C	0.9180
39	V	C	2.1304
40	V	C	0.0000
41	I	C	2.4488
42	A	C	0.7564
1	D	D	-3.0798
2	A	D	-1.7207
3	E	D	-2.0995
4	F	D	-0.1886
5	R	D	-2.5747
6	H	D	-2.6783
7	D	D	-2.9912
8	S	D	-1.4136
9	G	D	-0.6204
10	Y	D	0.4548
11	E	D	-0.2870
12	V	D	0.7013
13	H	D	-0.9840
14	H	D	-1.8850
15	Q	D	-2.3370
16	K	D	-2.4410
17	L	D	0.0000
18	V	D	1.2481
19	F	D	2.0327
20	F	D	2.0383
21	A	D	-0.6890
22	E	D	-3.3675
23	D	D	-4.0045
24	V	D	-2.0622
25	G	D	-1.8577
26	S	D	-1.6882
27	N	D	-3.1692
28	K	D	-3.0933
29	G	D	-1.0601
30	A	D	0.0366
31	I	D	0.5987
32	I	D	0.9419
33	G	D	1.0179
34	L	D	1.1647
35	M	D	1.1630
36	V	D	0.9885
37	G	D	0.2479
38	G	D	0.9440
39	V	D	2.5828
40	V	D	2.5430
41	I	D	2.5571
42	A	D	1.0305