Project name: 410c87890217b72

Chain sequence(s)	A: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA; B: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA
Selected Chain(s)	A,B
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                                          (00:02:37)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:38)

• Minimal score value: -2.8064
• Maximal score value: 3.2567
• Average score: -0.4663
• Total score value: -39.1714

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	-2.2219
2	A	A	-2.0629
3	E	A	-2.7244
4	F	A	-1.3010
5	R	A	-2.8064
6	H	A	-2.7406
7	D	A	-2.4780
8	S	A	-1.6710
9	G	A	-1.0242
10	Y	A	-0.7066
11	E	A	-2.0244
12	V	A	-0.6950
13	H	A	-1.2551
14	H	A	-1.4859
15	Q	A	-1.3760
16	K	A	-1.6358
17	L	A	-0.7231
18	V	A	-0.5536
19	F	A	0.0694
20	F	A	0.0000
21	A	A	0.0000
22	E	A	-2.1754
23	D	A	-2.2696
24	V	A	0.0000
25	G	A	-0.9466
26	S	A	-1.8395
27	N	A	-1.3826
28	K	A	-1.1460
29	G	A	0.6714
30	A	A	0.0000
31	I	A	1.7060
32	I	A	2.5224
33	G	A	0.0000
34	L	A	0.0000
35	M	A	2.7445
36	V	A	2.2320
37	G	A	0.3961
38	G	A	1.1522
39	V	A	1.9557
40	V	A	3.1801
41	I	A	3.0669
42	A	A	1.5449
1	D	B	-2.2146
2	A	B	-2.0532
3	E	B	-2.7002
4	F	B	-1.2851
5	R	B	-2.8049
6	H	B	-2.7364
7	D	B	-2.4790
8	S	B	-1.7493
9	G	B	-1.1462
10	Y	B	-0.7449
11	E	B	-2.1197
12	V	B	-0.8101
13	H	B	-1.3938
14	H	B	-1.7267
15	Q	B	-1.7585
16	K	B	-1.8634
17	L	B	-0.8542
18	V	B	-0.7254
19	F	B	-0.3486
20	F	B	0.0000
21	A	B	0.0000
22	E	B	-2.2876
23	D	B	-2.3803
24	V	B	0.0000
25	G	B	-1.0862
26	S	B	-1.8422
27	N	B	-1.4906
28	K	B	-1.3236
29	G	B	0.5302
30	A	B	0.0000
31	I	B	1.4889
32	I	B	1.9627
33	G	B	0.0000
34	L	B	0.0000
35	M	B	2.9025
36	V	B	2.2783
37	G	B	0.5506
38	G	B	1.2704
39	V	B	1.8772
40	V	B	3.2567
41	I	B	3.0995
42	A	B	1.5403