Project name: query_structure

Chain sequence(s)	A: VSDVPRDLEVVAATPTSLLISWDAPCQHNLYYRITYGETGGNSPVQEFTVPGSKSTATISGLKPGVDYTITVYAVTKRPLPSKPISINYRT
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                                          (00:00:38)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:39)

• Minimal score value: -3.2949
• Maximal score value: 1.6929
• Average score: -0.7051
• Total score value: -64.164

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	1.6929
2	S	A	0.2409
3	D	A	-0.4132
4	V	A	-0.8047
5	P	A	0.0000
6	R	A	-2.8788
7	D	A	-3.2949
8	L	A	0.0000
9	E	A	-2.1085
10	V	A	0.0793
11	V	A	1.5262
12	A	A	0.8889
13	A	A	0.3000
14	T	A	-0.5386
15	P	A	-1.1530
16	T	A	-1.0024
17	S	A	-0.5378
18	L	A	0.0000
19	L	A	0.7316
20	I	A	0.0000
21	S	A	-1.1167
22	W	A	0.0000
23	D	A	-3.1089
24	A	A	-1.8338
25	P	A	-0.5818
26	C	A	-0.3579
27	Q	A	-1.2872
28	H	A	-1.5699
29	N	A	0.0000
30	L	A	0.4252
31	Y	A	0.4224
32	Y	A	0.0000
33	R	A	-0.8759
34	I	A	0.0000
35	T	A	-0.5467
36	Y	A	-0.1838
37	G	A	0.0000
38	E	A	-1.4833
39	T	A	-1.2181
40	G	A	-1.2234
41	G	A	-1.3412
42	N	A	-1.5218
43	S	A	-0.8042
44	P	A	-0.2605
45	V	A	0.5443
46	Q	A	-0.6560
47	E	A	-1.5531
48	F	A	-0.7731
49	T	A	-0.4133
50	V	A	0.0000
51	P	A	-0.3739
52	G	A	-0.4943
53	S	A	-1.0747
54	K	A	-1.8738
55	S	A	-1.3381
56	T	A	-0.7477
57	A	A	0.0000
58	T	A	0.2326
59	I	A	0.0000
60	S	A	-0.6594
61	G	A	-1.0302
62	L	A	0.0000
63	K	A	-2.3665
64	P	A	-1.6651
65	G	A	-1.4374
66	V	A	-1.4270
67	D	A	-2.0620
68	Y	A	0.0000
69	T	A	-0.6862
70	I	A	0.0000
71	T	A	-0.2088
72	V	A	0.0000
73	Y	A	-0.1361
74	A	A	0.0000
75	V	A	0.0905
76	T	A	-0.9184
77	K	A	-2.1781
78	R	A	-2.2957
79	P	A	-0.8011
80	L	A	0.2700
81	P	A	-0.2028
82	S	A	-0.6749
83	K	A	-1.5136
84	P	A	-0.8900
85	I	A	-0.5603
86	S	A	-0.6741
87	I	A	-0.7258
88	N	A	-1.7034
89	Y	A	-1.4225
90	R	A	-2.5136
91	T	A	-1.5108