Project name: query_structure

Chain sequence(s)	A: VSSVPTKLEVVAATPTSLLISWDAPAVTVIFYVITYGETGGNSPVQEFTVPGSKSTATISGLSPGVDYTITVYATYYASNSGWYEYTSPISINYRT
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                                          (00:00:27)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:28)

• Minimal score value: -2.6473
• Maximal score value: 1.9622
• Average score: -0.2757
• Total score value: -26.4681

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	1.7659
2	S	A	0.7521
3	S	A	0.6969
4	V	A	0.3269
5	P	A	0.0000
6	T	A	-1.5826
7	K	A	-2.5713
8	L	A	0.0000
9	E	A	-1.8862
10	V	A	0.1188
11	V	A	1.5419
12	A	A	0.8961
13	A	A	0.3291
14	T	A	-0.1939
15	P	A	-0.7964
16	T	A	-0.5281
17	S	A	-0.3095
18	L	A	0.0000
19	L	A	0.7494
20	I	A	0.0000
21	S	A	-0.9243
22	W	A	0.0000
23	D	A	-2.4627
24	A	A	-1.1580
25	P	A	0.0665
26	A	A	0.5070
27	V	A	1.0229
28	T	A	0.7723
29	V	A	1.1727
30	I	A	1.4261
31	F	A	0.9829
32	Y	A	0.0000
33	V	A	0.0000
34	I	A	0.0000
35	T	A	-0.4127
36	Y	A	-0.2881
37	G	A	0.0000
38	E	A	-1.5959
39	T	A	-1.5019
40	G	A	-1.3626
41	G	A	-1.5253
42	N	A	-1.5573
43	S	A	-0.8816
44	P	A	-0.3268
45	V	A	0.4457
46	Q	A	-0.8329
47	E	A	-1.5353
48	F	A	-0.5363
49	T	A	-0.0810
50	V	A	0.0000
51	P	A	-0.3733
52	G	A	-0.1597
53	S	A	-0.8686
54	K	A	-1.9040
55	S	A	-1.3524
56	T	A	-0.7509
57	A	A	0.0000
58	T	A	0.2412
59	I	A	0.0000
60	S	A	-0.4735
61	G	A	-0.6854
62	L	A	0.0000
63	S	A	-0.9398
64	P	A	-1.0811
65	G	A	-1.2477
66	V	A	-1.2606
67	D	A	-2.6207
68	Y	A	0.0000
69	T	A	-0.9428
70	I	A	0.0000
71	T	A	0.0000
72	V	A	0.0000
73	Y	A	0.6648
74	A	A	0.0000
75	T	A	0.0000
76	Y	A	1.8817
77	Y	A	1.9622
78	A	A	0.0000
79	S	A	-0.4149
80	N	A	-1.2329
81	S	A	-0.4931
82	G	A	-0.1361
83	W	A	1.1618
84	Y	A	1.7578
85	E	A	0.9535
86	Y	A	1.4358
87	T	A	0.0000
88	S	A	0.1364
89	P	A	0.2479
90	I	A	0.0813
91	S	A	-0.5100
92	I	A	-0.7205
93	N	A	-1.8953
94	Y	A	-1.6640
95	R	A	-2.6473
96	T	A	-1.3404