Project name: query_structure

Chain sequence(s)	A: VSSVPTKLEVVAATPTSLLISWDAPAVTVIFYVITYGETGGNSPVQAFKVPGSKSTATISGLSPGVDYTITVYAQGYQSRWYRNSPISINYRT
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                                          (00:00:30)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:30)

• Minimal score value: -2.6736
• Maximal score value: 2.0668
• Average score: -0.4138
• Total score value: -38.4811

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	1.8253
2	S	A	0.7901
3	S	A	0.4432
4	V	A	0.0026
5	P	A	0.0000
6	T	A	-1.6753
7	K	A	-2.6424
8	L	A	0.0000
9	E	A	-1.8770
10	V	A	0.0986
11	V	A	1.5363
12	A	A	0.8964
13	A	A	0.2961
14	T	A	-0.2019
15	P	A	-0.8056
16	T	A	-0.5318
17	S	A	-0.3168
18	L	A	0.0000
19	L	A	0.7539
20	I	A	0.0000
21	S	A	-0.9731
22	W	A	0.0000
23	D	A	-2.6736
24	A	A	-1.2189
25	P	A	0.0625
26	A	A	0.5630
27	V	A	1.1048
28	T	A	0.9130
29	V	A	1.2292
30	I	A	2.0668
31	F	A	0.6817
32	Y	A	0.0000
33	V	A	-0.2019
34	I	A	0.0000
35	T	A	0.2476
36	Y	A	0.1606
37	G	A	-0.3799
38	E	A	-1.3676
39	T	A	-1.2680
40	G	A	-1.2460
41	G	A	-1.4155
42	N	A	-1.5485
43	S	A	-0.8683
44	P	A	-0.1115
45	V	A	0.9035
46	Q	A	0.1087
47	A	A	0.0456
48	F	A	-0.3474
49	K	A	-1.3123
50	V	A	0.0000
51	P	A	-0.5235
52	G	A	-0.0701
53	S	A	-0.6337
54	K	A	-1.7383
55	S	A	-1.3800
56	T	A	-0.7558
57	A	A	0.0000
58	T	A	0.2434
59	I	A	0.0000
60	S	A	-0.4718
61	G	A	-0.6849
62	L	A	0.0000
63	S	A	-0.8426
64	P	A	-0.9945
65	G	A	-1.0941
66	V	A	-0.9371
67	D	A	-1.9329
68	Y	A	0.0000
69	T	A	-0.8105
70	I	A	0.0000
71	T	A	0.2144
72	V	A	0.0000
73	Y	A	-0.2228
74	A	A	-0.0026
75	Q	A	-0.0331
76	G	A	0.8130
77	Y	A	0.9603
78	Q	A	-0.6059
79	S	A	-1.2004
80	R	A	-1.7174
81	W	A	-0.6673
82	Y	A	-0.9189
83	R	A	-2.3588
84	N	A	-2.0282
85	S	A	-1.0397
86	P	A	-0.4107
87	I	A	-0.2050
88	S	A	-0.4747
89	I	A	-0.7161
90	N	A	-1.7601
91	Y	A	-1.5090
92	R	A	-2.3793
93	T	A	-1.3386