Project name: query_structure

Chain sequence(s)	A: VSDVPRDLEVVAATPTSLLISWDAPAVTVRYYRITYGETGGNSPVQEFTVPGSKSTATISGLKPGVDYTITVYAVTGWTWVLRESKPISINYRT
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                                          (00:00:47)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:47)

• Minimal score value: -3.4263
• Maximal score value: 1.9994
• Average score: -0.7055
• Total score value: -66.3147

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	1.6251
2	S	A	0.0602
3	D	A	-1.0026
4	V	A	-1.3391
5	P	A	0.0000
6	R	A	-3.2760
7	D	A	-3.4263
8	L	A	-2.1791
9	E	A	-2.0581
10	V	A	0.1128
11	V	A	1.5455
12	A	A	0.8805
13	A	A	0.2759
14	T	A	-0.5437
15	P	A	-1.1405
16	T	A	-1.0053
17	S	A	-0.5463
18	L	A	0.0000
19	L	A	0.7062
20	I	A	0.0000
21	S	A	-1.1092
22	W	A	0.0000
23	D	A	-3.2692
24	A	A	-1.6870
25	P	A	0.0000
26	A	A	0.1278
27	V	A	0.3320
28	T	A	-0.2511
29	V	A	-1.1834
30	R	A	-1.8395
31	Y	A	-1.3050
32	Y	A	0.0000
33	R	A	-0.9686
34	I	A	0.0000
35	T	A	-0.5066
36	Y	A	-0.2745
37	G	A	0.0000
38	E	A	-1.4697
39	T	A	-1.2153
40	G	A	-1.2167
41	G	A	-1.3802
42	N	A	-1.5196
43	S	A	-0.8064
44	P	A	-0.2804
45	V	A	0.5009
46	Q	A	-0.7382
47	E	A	-1.5825
48	F	A	-0.6477
49	T	A	-0.3189
50	V	A	0.0000
51	P	A	-1.2223
52	G	A	-1.4535
53	S	A	-1.4182
54	K	A	-2.2560
55	S	A	-1.4270
56	T	A	-0.7736
57	A	A	0.0000
58	T	A	0.2222
59	I	A	0.0000
60	S	A	-0.6655
61	G	A	-1.0325
62	L	A	0.0000
63	K	A	-2.3544
64	P	A	-1.6575
65	G	A	-1.4257
66	V	A	-1.3511
67	D	A	-2.0364
68	Y	A	0.0000
69	T	A	-0.7747
70	I	A	0.0000
71	T	A	-0.4164
72	V	A	0.0000
73	Y	A	-0.9768
74	A	A	0.0000
75	V	A	0.0000
76	T	A	-0.9703
77	G	A	0.1850
78	W	A	1.4247
79	T	A	1.1844
80	W	A	1.9994
81	V	A	1.3441
82	L	A	0.4352
83	R	A	-2.1432
84	E	A	-2.5134
85	S	A	0.0000
86	K	A	-2.3425
87	P	A	-1.3622
88	I	A	0.0000
89	S	A	-0.6489
90	I	A	-0.5923
91	N	A	-1.7343
92	Y	A	-1.4866
93	R	A	-2.5198
94	T	A	-1.6348