Project name: query_structure

Chain sequence(s)	A: VSSVPTKLEVVAATPTSLLISWDAPAVTVVFYLITYGETGASSWPGYQEFTVPGSKSTATISGLKPGVDYTITVYAQYPWDTGSPISINYRT
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.                                          (00:00:39)

• Minimal score value: -2.5526
• Maximal score value: 1.782
• Average score: -0.3615
• Total score value: -33.2536

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	1.7820
2	S	A	0.7837
3	S	A	0.3248
4	V	A	0.3787
5	P	A	0.0000
6	T	A	-1.2214
7	K	A	-2.2304
8	L	A	-1.4299
9	E	A	-1.7503
10	V	A	0.0757
11	V	A	1.5053
12	A	A	0.8374
13	A	A	0.2575
14	T	A	-0.3728
15	P	A	-1.1297
16	T	A	-1.0049
17	S	A	-0.5707
18	L	A	0.0000
19	L	A	0.5837
20	I	A	0.0000
21	S	A	-0.7407
22	W	A	0.0000
23	D	A	-1.5988
24	A	A	-0.7478
25	P	A	0.2733
26	A	A	0.5442
27	V	A	0.8632
28	T	A	0.5022
29	V	A	0.6164
30	V	A	1.6092
31	F	A	0.9145
32	Y	A	0.0000
33	L	A	0.3506
34	I	A	0.0000
35	T	A	0.0000
36	Y	A	-0.6418
37	G	A	0.0000
38	E	A	-1.6121
39	T	A	-1.2010
40	G	A	-0.8440
41	A	A	-0.4843
42	S	A	-0.3006
43	S	A	0.0201
44	W	A	0.7777
45	P	A	0.1601
46	G	A	-0.1591
47	Y	A	-0.3855
48	Q	A	-1.1795
49	E	A	-1.2816
50	F	A	-0.2260
51	T	A	0.1445
52	V	A	0.0000
53	P	A	-0.2416
54	G	A	0.0232
55	S	A	-0.7797
56	K	A	-1.9134
57	S	A	-1.1316
58	T	A	-0.6530
59	A	A	0.0000
60	T	A	0.1744
61	I	A	0.0000
62	S	A	-0.6812
63	G	A	-1.0295
64	L	A	0.0000
65	K	A	-2.3783
66	P	A	-1.6490
67	G	A	-1.4404
68	V	A	-1.4258
69	D	A	-2.0989
70	Y	A	0.0000
71	T	A	-0.9720
72	I	A	0.0000
73	T	A	0.0000
74	V	A	0.0000
75	Y	A	0.5244
76	A	A	0.0000
77	Q	A	0.2183
78	Y	A	0.0000
79	P	A	0.2552
80	W	A	0.3211
81	D	A	-1.2525
82	T	A	-0.5329
83	G	A	-0.3844
84	S	A	-0.2740
85	P	A	0.1016
86	I	A	0.1105
87	S	A	-0.3202
88	I	A	-0.6903
89	N	A	-1.7555
90	Y	A	-1.5054
91	R	A	-2.5526
92	T	A	-1.5120