Project name: query_structure

Chain sequence(s)	A: VSDVPRDLEVVAATPTSLLISWDAPAVTVRYYRITYGETGGNSPVQEFTVPGSKSTATISGLKPGVDYTITVYAVTGRVMDMLLSKPISINYRT
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                                          (00:00:42)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:43)

• Minimal score value: -3.4106
• Maximal score value: 1.6233
• Average score: -0.6497
• Total score value: -61.0731

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	1.6233
2	S	A	0.0676
3	D	A	-0.2756
4	V	A	-0.7478
5	P	A	0.0000
6	R	A	-3.1917
7	D	A	-3.4106
8	L	A	0.0000
9	E	A	-2.1009
10	V	A	0.1251
11	V	A	1.5529
12	A	A	0.9072
13	A	A	0.3194
14	T	A	-0.3366
15	P	A	-1.0552
16	T	A	-0.9605
17	S	A	-0.5258
18	L	A	0.0000
19	L	A	0.7682
20	I	A	0.0000
21	S	A	-1.1048
22	W	A	0.0000
23	D	A	-3.1993
24	A	A	-1.6328
25	P	A	0.0000
26	A	A	0.2813
27	V	A	0.3497
28	T	A	-0.2712
29	V	A	-0.5852
30	R	A	-1.5600
31	Y	A	-0.7699
32	Y	A	0.0000
33	R	A	-0.9080
34	I	A	0.0000
35	T	A	-0.7234
36	Y	A	-0.4085
37	G	A	0.0000
38	E	A	-1.8060
39	T	A	-1.4688
40	G	A	-1.3394
41	G	A	-1.5114
42	N	A	-1.5602
43	S	A	-0.9315
44	P	A	-0.4188
45	V	A	0.2675
46	Q	A	-1.2100
47	E	A	-1.9122
48	F	A	-0.8407
49	T	A	-0.3581
50	V	A	-0.5144
51	P	A	-0.9762
52	G	A	-1.1566
53	S	A	-1.1504
54	K	A	-1.8300
55	S	A	-1.2183
56	T	A	-0.6520
57	A	A	0.0000
58	T	A	0.2622
59	I	A	0.0000
60	S	A	-0.6584
61	G	A	-1.0277
62	L	A	0.0000
63	K	A	-2.3834
64	P	A	-1.6057
65	G	A	-1.3031
66	V	A	-1.5783
67	D	A	-2.6595
68	Y	A	0.0000
69	T	A	-0.9140
70	I	A	0.0000
71	T	A	-0.5722
72	V	A	0.0000
73	Y	A	-0.0689
74	A	A	0.0000
75	V	A	0.0000
76	T	A	0.0141
77	G	A	-0.4541
78	R	A	-1.1661
79	V	A	0.8400
80	M	A	0.6977
81	D	A	-0.6554
82	M	A	0.4841
83	L	A	1.0892
84	L	A	1.1121
85	S	A	0.0000
86	K	A	-1.3514
87	P	A	-0.8679
88	I	A	-0.6297
89	S	A	-0.8501
90	I	A	-0.7288
91	N	A	-1.8635
92	Y	A	-1.6217
93	R	A	-2.7135
94	T	A	-1.5385