Project name: 6555c87f08ecea7

Chain sequence(s)	A: FARSLSITTPEEMIEKAKGETAYLPCKFTLSPEDQGPLDIEWLISPADNQKVDQVIILYSGDKIYDDYYPDLKGRVHFTSNDLKSGDASINVTNLQLSDIGTYQCKVKKAPGVANKKIHLVVLV; B: EVSEEEKEKIDKEHHKEREDYWDGKSSTPPHVISEKWYEKIK
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                                          (00:03:15)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:16)

• Minimal score value: -5.4291
• Maximal score value: 1.7048
• Average score: -1.2181
• Total score value: -202.1967

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	F	A	1.3736
2	A	A	-0.1745
3	R	A	-1.7164
4	S	A	-0.8630
5	L	A	0.0000
6	S	A	-0.5798
7	I	A	0.0000
8	T	A	-0.8695
9	T	A	-1.3260
10	P	A	-1.7953
11	E	A	-2.6290
12	E	A	-1.3419
13	M	A	-0.3659
14	I	A	-0.3500
15	E	A	-1.5458
16	K	A	-1.2383
17	A	A	-1.0003
18	K	A	-1.6445
19	G	A	-1.9613
20	E	A	-2.2092
21	T	A	-1.2535
22	A	A	0.0000
23	Y	A	0.6147
24	L	A	0.0000
25	P	A	-0.3047
26	C	A	0.0000
27	K	A	-1.2709
28	F	A	0.0000
29	T	A	-0.0286
30	L	A	-0.0858
31	S	A	0.0000
32	P	A	-1.0504
33	E	A	-2.3337
34	D	A	0.0000
35	Q	A	-1.8946
36	G	A	-1.1618
37	P	A	-1.0900
38	L	A	0.0000
39	D	A	0.0000
40	I	A	0.0000
41	E	A	0.0000
42	W	A	0.0000
43	L	A	0.0000
44	I	A	0.0000
45	S	A	-0.6086
46	P	A	-1.0942
47	A	A	-1.1530
48	D	A	-2.6032
49	N	A	-2.7028
50	Q	A	-2.5125
51	K	A	-2.2612
52	V	A	-0.1205
53	D	A	-0.4422
54	Q	A	-0.7033
55	V	A	0.0000
56	I	A	0.0000
57	I	A	0.0000
58	L	A	0.0000
59	Y	A	0.0000
60	S	A	0.0000
61	G	A	-1.5361
62	D	A	-2.8493
63	K	A	-2.1580
64	I	A	-0.4472
65	Y	A	0.0000
66	D	A	-1.8744
67	D	A	-2.2354
68	Y	A	-0.9104
69	Y	A	0.0000
70	P	A	-1.4981
71	D	A	-1.6730
72	L	A	0.0000
73	K	A	-2.8133
74	G	A	-2.2605
75	R	A	-1.9471
76	V	A	0.0000
77	H	A	-1.2267
78	F	A	0.0000
79	T	A	-0.6785
80	S	A	-1.6155
81	N	A	-2.3282
82	D	A	-2.9995
83	L	A	0.0000
84	K	A	-2.7177
85	S	A	-1.8750
86	G	A	0.0000
87	D	A	-1.7231
88	A	A	0.0000
89	S	A	0.0000
90	I	A	0.0000
91	N	A	-0.2024
92	V	A	0.0000
93	T	A	-1.4093
94	N	A	-2.3198
95	L	A	0.0000
96	Q	A	-0.9952
97	L	A	0.3108
98	S	A	-0.5562
99	D	A	0.0000
100	I	A	0.0225
101	G	A	0.0000
102	T	A	-0.1465
103	Y	A	0.0000
104	Q	A	0.0000
105	C	A	0.0000
106	K	A	-0.7077
107	V	A	0.0000
108	K	A	0.0000
109	K	A	-0.6241
110	A	A	-0.7700
111	P	A	-0.7745
112	G	A	-0.2213
113	V	A	0.4642
114	A	A	0.0000
115	N	A	-1.6439
116	K	A	0.0000
117	K	A	-2.2044
118	I	A	0.0000
119	H	A	-0.9525
120	L	A	0.0000
121	V	A	-0.1560
122	V	A	0.0000
123	L	A	0.7925
124	V	A	1.7048
1	E	B	-2.1366
2	V	B	-2.1999
3	S	B	-2.5455
4	E	B	-4.1418
5	E	B	-4.5783
6	E	B	-4.5636
7	K	B	-4.9888
8	E	B	-5.4291
9	K	B	-5.1508
10	I	B	-4.3232
11	D	B	-4.5866
12	K	B	-4.9703
13	E	B	-4.7230
14	H	B	0.0000
15	H	B	-3.5309
16	K	B	-4.0675
17	E	B	-3.5832
18	R	B	0.0000
19	E	B	-3.4121
20	D	B	-3.1212
21	Y	B	-2.2187
22	W	B	-1.7595
23	D	B	-2.7571
24	G	B	-2.4036
25	K	B	-2.9255
26	S	B	-1.8661
27	S	B	-0.8184
28	T	B	-0.5277
29	P	B	-0.2436
30	P	B	0.0000
31	H	B	-1.0004
32	V	B	-0.4716
33	I	B	0.0000
34	S	B	0.0000
35	E	B	-2.2456
36	K	B	-3.0156
37	W	B	0.0000
38	Y	B	-2.2767
39	E	B	-3.7205
40	K	B	-3.4620
41	I	B	-3.2568
42	K	B	-3.1210