Project name: query_structure

Chain sequence(s)	A: VSDVPRDLEVVAATPTSLLISWDASSSSVSYYRITYGETGGNSPVQEFTVPGSSSTATISGLKPGVDYTITVYAGVGNYKYWWGSSPISINYRT
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                                          (00:00:31)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:32)

• Minimal score value: -3.3696
• Maximal score value: 1.5231
• Average score: -0.4774
• Total score value: -44.8802

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	1.5231
2	S	A	0.1257
3	D	A	-0.3454
4	V	A	-0.8025
5	P	A	0.0000
6	R	A	-3.0886
7	D	A	-3.3696
8	L	A	0.0000
9	E	A	-2.1350
10	V	A	0.0644
11	V	A	1.5129
12	A	A	0.8718
13	A	A	0.2845
14	T	A	-0.5556
15	P	A	-1.1651
16	T	A	-1.0151
17	S	A	-0.5554
18	L	A	0.0000
19	L	A	0.6945
20	I	A	0.0000
21	S	A	-0.9496
22	W	A	0.0000
23	D	A	-3.0941
24	A	A	-1.6487
25	S	A	-1.1019
26	S	A	-0.2682
27	S	A	-0.3544
28	S	A	-0.1805
29	V	A	0.0000
30	S	A	-0.1205
31	Y	A	-0.0023
32	Y	A	0.0000
33	R	A	-0.4372
34	I	A	0.0000
35	T	A	0.0000
36	Y	A	0.0000
37	G	A	0.0000
38	E	A	-1.4571
39	T	A	-1.2006
40	G	A	-1.2085
41	G	A	-1.3246
42	N	A	-1.5090
43	S	A	-0.7981
44	P	A	-0.2932
45	V	A	0.4615
46	Q	A	-0.7836
47	E	A	-1.5926
48	F	A	-0.6535
49	T	A	-0.2937
50	V	A	0.0000
51	P	A	-0.3739
52	G	A	-0.2105
53	S	A	-0.4117
54	S	A	-0.4852
55	S	A	-0.6572
56	T	A	-0.2932
57	A	A	0.0000
58	T	A	0.2755
59	I	A	0.0000
60	S	A	-0.6665
61	G	A	-1.0367
62	L	A	0.0000
63	K	A	-2.3542
64	P	A	-1.6534
65	G	A	-1.4225
66	V	A	-1.3807
67	D	A	-1.9940
68	Y	A	0.0000
69	T	A	-0.7512
70	I	A	0.0000
71	T	A	-0.2125
72	V	A	0.0000
73	Y	A	0.1461
74	A	A	0.0000
75	G	A	0.0000
76	V	A	0.8505
77	G	A	-0.0033
78	N	A	-0.7912
79	Y	A	0.6250
80	K	A	-0.5323
81	Y	A	1.1521
82	W	A	1.1690
83	W	A	1.3505
84	G	A	0.3754
85	S	A	0.2464
86	S	A	-0.1994
87	P	A	-0.3251
88	I	A	-0.3034
89	S	A	-0.4005
90	I	A	-0.7333
91	N	A	-1.7046
92	Y	A	-1.4182
93	R	A	-2.4878
94	T	A	-1.5024