Project name: 9465d29c89fcc51

Chain sequence(s)	A: GNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDPGSRNLCNIPCSALLSSDITASVNCAKKIVS
Selected Chain(s)	A
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 A 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                                          (00:00:25)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:26)

• Minimal score value: -3.1242
• Maximal score value: 2.3343
• Average score: -0.3026
• Total score value: -21.7879

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
26	G	A	-0.8097
27	N	A	-0.5473
28	W	A	1.4134
29	V	A	2.2763
30	C	A	1.4637
31	A	A	0.5228
32	A	A	0.1760
33	K	A	-1.2106
34	F	A	0.1885
35	E	A	-1.6499
36	S	A	-0.8347
37	N	A	-1.2609
38	F	A	0.4726
39	N	A	-0.9391
40	T	A	-0.9592
41	Q	A	-1.5713
42	A	A	-0.8518
43	T	A	-1.4833
44	N	A	-2.6525
45	R	A	-3.1242
46	N	A	-2.9125
47	T	A	-2.1482
48	D	A	-2.8259
49	G	A	-2.0186
50	S	A	-1.5542
51	T	A	-1.0276
52	D	A	-1.3301
53	Y	A	0.4906
54	G	A	0.7334
55	I	A	2.1742
56	L	A	1.5124
57	Q	A	-0.0051
58	I	A	-0.1830
59	N	A	-1.9496
60	S	A	-1.1939
61	R	A	-1.7169
62	W	A	0.4675
63	W	A	1.0164
64	C	A	-0.0302
65	N	A	-1.6317
66	D	A	-2.3575
70	P	A	-0.9731
71	G	A	-1.5109
72	S	A	-1.9509
73	R	A	-2.3709
74	N	A	-1.1865
75	L	A	0.5337
76	C	A	1.0970
77	N	A	0.1451
78	I	A	1.2445
79	P	A	0.4215
80	C	A	0.8450
81	S	A	0.7500
82	A	A	1.1899
83	L	A	2.3343
84	L	A	2.1635
85	S	A	0.9594
86	S	A	-0.1228
87	D	A	-1.1418
88	I	A	0.8651
89	T	A	0.4814
90	A	A	0.9705
91	S	A	0.8003
92	V	A	1.3576
93	N	A	-0.4519
94	C	A	-0.1177
95	A	A	-1.6321
96	K	A	-2.1865
97	K	A	-1.4278
98	I	A	1.6361
99	V	A	2.2564
100	S	A	1.1054