Project name: query_structure

Chain sequence(s)	A: VSDVPRDLEVVAATPTSLLISWDAPAVTVRYYRITYGETGGNSPVQEFTVPGSKSTATISGLKPGVDYTITVYAVTGTWVRPNQSKPISINYRT
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                                          (00:00:39)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:40)

• Minimal score value: -3.481
• Maximal score value: 1.605
• Average score: -0.8058
• Total score value: -75.747

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	V	A	1.6050
2	S	A	0.0152
3	D	A	-0.9644
4	V	A	-1.1730
5	P	A	0.0000
6	R	A	-3.3504
7	D	A	-3.4810
8	L	A	-2.2046
9	E	A	-2.0687
10	V	A	0.1245
11	V	A	1.5580
12	A	A	0.8995
13	A	A	0.2995
14	T	A	-0.5408
15	P	A	-1.1539
16	T	A	-1.0095
17	S	A	-0.5333
18	L	A	0.0000
19	L	A	0.7603
20	I	A	0.0000
21	S	A	-1.1067
22	W	A	0.0000
23	D	A	-3.2906
24	A	A	-1.7045
25	P	A	0.0000
26	A	A	0.0996
27	V	A	0.3053
28	T	A	-0.3877
29	V	A	-1.2225
30	R	A	-1.9938
31	Y	A	-1.2297
32	Y	A	0.0000
33	R	A	-0.9045
34	I	A	0.0000
35	T	A	-0.5054
36	Y	A	-0.2726
37	G	A	0.0000
38	E	A	-1.4681
39	T	A	-1.2008
40	G	A	-1.2160
41	G	A	-1.3406
42	N	A	-1.5256
43	S	A	-0.8286
44	P	A	-0.3001
45	V	A	0.4768
46	Q	A	-0.7814
47	E	A	-1.6046
48	F	A	-0.6456
49	T	A	-0.2967
50	V	A	0.0000
51	P	A	-1.2196
52	G	A	-1.4466
53	S	A	-1.4117
54	K	A	-2.2533
55	S	A	-1.4234
56	T	A	-0.7679
57	A	A	0.0000
58	T	A	0.2448
59	I	A	0.0000
60	S	A	-0.6579
61	G	A	-1.0329
62	L	A	0.0000
63	K	A	-2.3598
64	P	A	-1.6629
65	G	A	-1.4305
66	V	A	-1.3996
67	D	A	-2.0333
68	Y	A	0.0000
69	T	A	-0.7160
70	I	A	0.0000
71	T	A	-0.4013
72	V	A	0.0000
73	Y	A	-0.7651
74	A	A	0.0000
75	V	A	0.0000
76	T	A	-1.6032
77	G	A	-1.1914
78	T	A	-0.1750
79	W	A	0.9888
80	V	A	1.2196
81	R	A	-1.3010
82	P	A	-1.6712
83	N	A	-2.6561
84	Q	A	-2.5709
85	S	A	0.0000
86	K	A	-2.2188
87	P	A	-1.3118
88	I	A	0.0000
89	S	A	-0.6348
90	I	A	-0.5842
91	N	A	-1.7063
92	Y	A	-1.4311
93	R	A	-2.4988
94	T	A	-1.5018