Project name: b9103b62ef3eec8

Chain sequence(s)	A: MTILSTFTSFSNPPKLNKSSFSSSTGSSLSMGSNSFAWGGGWGGFGGPKGGSFNVDIAGNLIWGVYGFIRGGVGLVKWRGLQKGCKQP; B: QQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQ
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]                                                (00:00:01)
[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                                          (00:02:34)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:35)

• Minimal score value: -3.6845
• Maximal score value: 1.6499
• Average score: -1.1654
• Total score value: -156.1673

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	M	A	0.9157
2	T	A	0.3079
3	I	A	0.0000
4	L	A	0.2475
5	S	A	0.3271
6	T	A	0.0304
7	F	A	0.0000
8	T	A	0.7114
9	S	A	0.4792
10	F	A	0.5752
11	S	A	-0.4740
12	N	A	-1.4405
13	P	A	0.0000
14	P	A	-1.5539
15	K	A	-2.8915
16	L	A	-2.2533
17	N	A	-2.6064
18	K	A	-3.0026
19	S	A	-1.6257
20	S	A	0.0000
21	F	A	-0.8875
22	S	A	-0.6453
23	S	A	-0.6585
24	S	A	-0.4639
25	T	A	-0.3640
26	G	A	-1.0105
27	S	A	-1.0454
28	S	A	-0.5817
29	L	A	0.0000
30	S	A	-0.3413
31	M	A	0.0000
32	G	A	-0.7669
33	S	A	-0.7654
34	N	A	-1.3570
35	S	A	-1.1624
36	F	A	-0.7898
37	A	A	-0.6034
38	W	A	0.1977
39	G	A	0.0000
40	G	A	-0.7637
41	G	A	-0.8171
42	W	A	-0.8709
43	G	A	0.0000
44	G	A	0.0000
45	F	A	0.0000
46	G	A	-1.3338
47	G	A	0.0000
48	P	A	-1.3651
49	K	A	-2.2961
50	G	A	-1.4854
51	G	A	-0.7087
52	S	A	0.0764
53	F	A	0.0000
54	N	A	0.0000
55	V	A	0.5889
56	D	A	0.0000
57	I	A	1.0331
58	A	A	0.5269
59	G	A	-0.3434
60	N	A	-0.5874
61	L	A	1.1354
62	I	A	0.7289
63	W	A	0.3561
64	G	A	-0.1188
65	V	A	0.0000
66	Y	A	0.0000
67	G	A	0.0000
68	F	A	0.5975
69	I	A	0.0300
70	R	A	-1.2640
71	G	A	-0.4890
72	G	A	0.3007
73	V	A	1.6499
74	G	A	0.0000
75	L	A	0.8989
76	V	A	1.2676
77	K	A	-0.4771
78	W	A	0.0532
79	R	A	-0.8746
80	G	A	-1.2498
81	L	A	-1.2849
82	Q	A	-1.7840
83	K	A	-1.6217
84	G	A	-1.4966
85	C	A	-1.5963
86	K	A	-1.9490
87	Q	A	-2.0332
88	P	A	-1.8042
1	Q	B	-3.0168
2	Q	B	-2.6763
3	Q	B	-2.8425
4	Q	B	-2.7240
5	Q	B	0.0000
6	Q	B	-3.3056
7	Q	B	-2.9635
8	Q	B	0.0000
9	Q	B	-2.8271
10	Q	B	-2.7806
11	Q	B	-2.5708
12	Q	B	-2.3362
13	Q	B	-2.6521
14	Q	B	-2.7545
15	Q	B	-2.6671
16	Q	B	0.0000
17	Q	B	-2.5536
18	Q	B	-2.4093
19	Q	B	-2.4231
20	Q	B	0.0000
21	Q	B	-2.5118
22	Q	B	-2.6355
23	Q	B	-2.7405
24	Q	B	-2.9321
25	Q	B	-2.8665
26	Q	B	-2.7797
27	Q	B	-2.9915
28	Q	B	-2.8928
29	Q	B	-3.0724
30	Q	B	-2.9277
31	Q	B	-2.6527
32	Q	B	-2.2790
33	Q	B	-2.1226
34	Q	B	-1.9694
35	Q	B	-2.4039
36	Q	B	-1.9957
37	Q	B	-2.9060
38	Q	B	-2.9881
39	Q	B	-3.3616
40	Q	B	-3.6845
41	Q	B	-3.2953
42	Q	B	-2.2123
43	Q	B	-2.4544
44	Q	B	-2.5140
45	Q	B	-2.4418
46	Q	B	-2.1623