Project name: query_structure

Chain sequence(s)	A: VSDVPRDLEVVAATPTSLLISWDAPAVTVRYYRITYGETGGNSPVQEFTVPGSKSTATISGLKPGVDYTITVYAVTGRVLMTLLSKPISINYRT
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                                          (00:00:33)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:34)

• Minimal score value: -3.4232
• Maximal score value: 2.3021
• Average score: -0.5537
• Total score value: -52.052

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	1.6422
2	S	A	0.1015
3	D	A	-0.1972
4	V	A	-0.7167
5	P	A	0.0000
6	R	A	-3.1706
7	D	A	-3.4232
8	L	A	0.0000
9	E	A	-2.1212
10	V	A	0.1066
11	V	A	1.5459
12	A	A	0.9033
13	A	A	0.3012
14	T	A	-0.5324
15	P	A	-1.1062
16	T	A	-0.9837
17	S	A	-0.5296
18	L	A	0.0000
19	L	A	0.7644
20	I	A	0.0000
21	S	A	-1.1403
22	W	A	0.0000
23	D	A	-3.2347
24	A	A	-1.6771
25	P	A	0.0000
26	A	A	0.1731
27	V	A	0.3935
28	T	A	-0.5028
29	V	A	-0.7425
30	R	A	-1.9098
31	Y	A	-0.9258
32	Y	A	0.0000
33	R	A	-0.7650
34	I	A	0.0000
35	T	A	-0.5581
36	Y	A	-0.2788
37	G	A	0.0000
38	E	A	-1.7191
39	T	A	-1.4300
40	G	A	-1.3254
41	G	A	-1.4926
42	N	A	-1.5600
43	S	A	-0.8820
44	P	A	-0.3202
45	V	A	0.4519
46	Q	A	-0.8220
47	E	A	-1.6766
48	F	A	-0.7350
49	T	A	-0.3535
50	V	A	0.0000
51	P	A	-1.1152
52	G	A	-1.3167
53	S	A	-1.3045
54	K	A	-1.9059
55	S	A	-1.3470
56	T	A	-0.7417
57	A	A	0.0000
58	T	A	0.2429
59	I	A	0.0000
60	S	A	-0.6546
61	G	A	-1.0273
62	L	A	0.0000
63	K	A	-2.4126
64	P	A	-1.6835
65	G	A	-1.4475
66	V	A	-1.5988
67	D	A	-2.5994
68	Y	A	0.0000
69	T	A	-0.8982
70	I	A	0.0000
71	T	A	-0.3719
72	V	A	0.0000
73	Y	A	-0.0755
74	A	A	0.0000
75	V	A	0.0000
76	T	A	0.0966
77	G	A	0.4444
78	R	A	-0.1686
79	V	A	1.8783
80	L	A	2.3021
81	M	A	1.8813
82	T	A	1.2262
83	L	A	1.6693
84	L	A	1.4460
85	S	A	0.0000
86	K	A	-1.3138
87	P	A	-0.8207
88	I	A	-0.6251
89	S	A	-0.7218
90	I	A	-0.7518
91	N	A	-1.8476
92	Y	A	-1.6056
93	R	A	-2.7215
94	T	A	-1.7138