Project name: query_structure

Chain sequence(s)	A: VSDVPRDLEVVAATPTSLLISWDAPAVTVRYYRITYGETGGNSPVQEFTVPGSKSTATISGLKPGVDYTITVYAVTGRILLNMLTSKPISINYRT
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                                          (00:00:41)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:41)

• Minimal score value: -3.3686
• Maximal score value: 2.5904
• Average score: -0.5685
• Total score value: -54.0121

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	1.6496
2	S	A	0.1180
3	D	A	-0.3265
4	V	A	-1.0155
5	P	A	0.0000
6	R	A	-3.1256
7	D	A	-3.3686
8	L	A	0.0000
9	E	A	-2.0948
10	V	A	0.1152
11	V	A	1.5446
12	A	A	0.8977
13	A	A	0.2885
14	T	A	-0.5349
15	P	A	-1.1256
16	T	A	-0.9955
17	S	A	-0.5351
18	L	A	0.0000
19	L	A	0.7442
20	I	A	0.0000
21	S	A	-1.1345
22	W	A	0.0000
23	D	A	-3.2219
24	A	A	-1.6516
25	P	A	0.0000
26	A	A	0.1813
27	V	A	0.1456
28	T	A	-0.6027
29	V	A	-0.9887
30	R	A	-1.8519
31	Y	A	-1.0398
32	Y	A	0.0000
33	R	A	-0.7241
34	I	A	0.0000
35	T	A	-0.5034
36	Y	A	-0.3029
37	G	A	0.0000
38	E	A	-1.5597
39	T	A	-1.2610
40	G	A	-1.2406
41	G	A	-1.4218
42	N	A	-1.5519
43	S	A	-0.8617
44	P	A	-0.3244
45	V	A	0.4420
46	Q	A	-0.8371
47	E	A	-1.6281
48	F	A	-0.6743
49	T	A	-0.2943
50	V	A	0.0000
51	P	A	-1.1837
52	G	A	-1.4031
53	S	A	-1.3961
54	K	A	-2.0554
55	S	A	-1.4171
56	T	A	-0.7793
57	A	A	0.0000
58	T	A	0.2369
59	I	A	0.0000
60	S	A	-0.6573
61	G	A	-1.0282
62	L	A	0.0000
63	K	A	-2.3678
64	P	A	-1.6589
65	G	A	-1.4441
66	V	A	-1.4067
67	D	A	-2.1006
68	Y	A	0.0000
69	T	A	-0.7877
70	I	A	0.0000
71	T	A	-0.3357
72	V	A	0.0000
73	Y	A	-0.1910
74	A	A	0.0000
75	V	A	0.0000
76	T	A	0.0000
77	G	A	-0.2243
78	R	A	-0.3433
79	I	A	2.1732
80	L	A	2.5904
81	L	A	2.1486
82	N	A	0.5645
83	M	A	0.8019
84	L	A	0.8741
85	T	A	0.1283
86	S	A	0.0000
87	K	A	-1.6137
88	P	A	-0.9752
89	I	A	-0.6273
90	S	A	-0.8582
91	I	A	-0.7452
92	N	A	-1.7344
93	Y	A	-1.4811
94	R	A	-2.5378
95	T	A	-1.5050