Project name: query_structure

Chain sequence(s)	A: VSDVPRDLEVVAATPTSLLISWDAVYNVYPGTVRYYRITYGETGGNSPVQEFTVPGSKSTATISGLKPGVDYTITVYAVTGSGVKYVVYRRSPISINYRT
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                                          (00:00:45)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:46)

• Minimal score value: -3.5869
• Maximal score value: 2.6444
• Average score: -0.5207
• Total score value: -52.0668

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	1.3799
2	S	A	-0.1186
3	D	A	-0.6872
4	V	A	-1.0689
5	P	A	0.0000
6	R	A	-3.5574
7	D	A	-3.5869
8	L	A	0.0000
9	E	A	-2.1496
10	V	A	0.0922
11	V	A	1.5392
12	A	A	0.8915
13	A	A	0.2898
14	T	A	-0.5298
15	P	A	-1.1236
16	T	A	-0.9949
17	S	A	-0.5382
18	L	A	0.0000
19	L	A	0.7417
20	I	A	0.0000
21	S	A	-1.2140
22	W	A	0.0000
23	D	A	-3.1496
24	A	A	0.0000
25	V	A	-0.5881
26	Y	A	0.5957
27	N	A	-0.1456
28	V	A	0.0000
29	Y	A	0.8652
30	P	A	0.2367
31	G	A	0.0000
32	T	A	-0.3894
33	V	A	0.0000
34	R	A	-2.0556
35	Y	A	-0.9628
36	Y	A	0.0000
37	R	A	-0.8904
38	I	A	0.0000
39	T	A	-0.6440
40	Y	A	-0.4037
41	G	A	0.0000
42	E	A	-1.7303
43	T	A	-1.3780
44	G	A	-1.2991
45	G	A	-1.4628
46	N	A	-1.5596
47	S	A	-0.9299
48	P	A	-0.4144
49	V	A	0.2757
50	Q	A	-1.1799
51	E	A	-1.8122
52	F	A	-0.7962
53	T	A	-0.4961
54	V	A	0.0000
55	P	A	-1.1387
56	G	A	-1.2051
57	S	A	-1.2409
58	K	A	-2.2164
59	S	A	-1.3800
60	T	A	-0.7713
61	A	A	0.0000
62	T	A	0.2924
63	I	A	0.0000
64	S	A	-0.6636
65	G	A	-1.0337
66	L	A	0.0000
67	K	A	-2.4204
68	P	A	-1.7071
69	G	A	-1.5291
70	V	A	-1.5794
71	D	A	-2.4270
72	Y	A	0.0000
73	T	A	-0.8489
74	I	A	0.0000
75	T	A	0.0000
76	V	A	0.0000
77	Y	A	0.4271
78	A	A	0.1038
79	V	A	0.0808
80	T	A	-0.1744
81	G	A	-0.4308
82	S	A	0.2590
83	G	A	0.2076
84	V	A	1.4554
85	K	A	0.1298
86	Y	A	2.0496
87	V	A	2.6444
88	V	A	1.8097
89	Y	A	1.4924
90	R	A	-0.6861
91	R	A	-0.6811
92	S	A	-0.4223
93	P	A	-0.2097
94	I	A	-0.3640
95	S	A	-0.5966
96	I	A	-0.6781
97	N	A	-1.7969
98	Y	A	-1.5851
99	R	A	-2.6882
100	T	A	-1.5947