Project name: query_structure

Chain sequence(s)	A: VSDVPRDLEVVAATPTSLLISWDAPAVTVFFYFITYGETGGNSPVQKFTVPGSKSTATISGLKPGVDYTITVYALYRSQKSGQYDYSSPISINYRT
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                                          (00:00:37)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:37)

• Minimal score value: -3.4574
• Maximal score value: 1.774
• Average score: -0.612
• Total score value: -58.7518

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	1.7740
2	S	A	0.5915
3	D	A	-0.0286
4	V	A	-0.0250
5	P	A	0.0000
6	R	A	-3.2226
7	D	A	-3.4574
8	L	A	0.0000
9	E	A	-2.1317
10	V	A	0.0966
11	V	A	1.5264
12	A	A	0.8705
13	A	A	0.2994
14	T	A	-0.3448
15	P	A	-1.0530
16	T	A	-0.9625
17	S	A	-0.5439
18	L	A	0.0000
19	L	A	0.6466
20	I	A	0.0000
21	S	A	-1.1755
22	W	A	0.0000
23	D	A	-3.2347
24	A	A	-1.6265
25	P	A	-0.3568
26	A	A	0.4326
27	V	A	0.3929
28	T	A	0.1707
29	V	A	0.6450
30	F	A	1.2638
31	F	A	1.7458
32	Y	A	0.0000
33	F	A	0.9132
34	I	A	0.0000
35	T	A	0.0000
36	Y	A	-0.2959
37	G	A	0.0000
38	E	A	-1.8300
39	T	A	-1.5076
40	G	A	-1.3582
41	G	A	-1.5815
42	N	A	-1.6194
43	S	A	-0.9609
44	P	A	-0.4118
45	V	A	0.2905
46	Q	A	-0.8422
47	K	A	-1.3514
48	F	A	-0.3490
49	T	A	0.3958
50	V	A	0.0000
51	P	A	0.0964
52	G	A	0.2951
53	S	A	-0.6576
54	K	A	-1.6367
55	S	A	-1.2303
56	T	A	-0.7365
57	A	A	0.0000
58	T	A	0.0228
59	I	A	0.0000
60	S	A	-0.6706
61	G	A	-1.0238
62	L	A	0.0000
63	K	A	-2.3939
64	P	A	-1.6284
65	G	A	-1.3724
66	V	A	-1.6031
67	D	A	-2.6821
68	Y	A	0.0000
69	T	A	-0.9395
70	I	A	0.0000
71	T	A	0.0000
72	V	A	0.0000
73	Y	A	0.8018
74	A	A	0.0000
75	L	A	1.0270
76	Y	A	-0.2189
77	R	A	-2.3076
78	S	A	0.0000
79	Q	A	-2.8183
80	K	A	-2.8915
81	S	A	-2.2201
82	G	A	-2.2612
83	Q	A	-2.2649
84	Y	A	-0.7479
85	D	A	-1.3127
86	Y	A	0.5817
87	S	A	0.0000
88	S	A	-0.0792
89	P	A	-0.0280
90	I	A	-0.3307
91	S	A	-0.7412
92	I	A	-0.7379
93	N	A	-1.8752
94	Y	A	-1.6488
95	R	A	-2.7418
96	T	A	-1.5602