Project name: query_structure

Chain sequence(s)	A: VSDVPRDLEVVAATPTSLLISWYYPFCAFYYRITYGETGGNSPVQEFTVRYYRITYGETGGNSPVQEFTVPRSYKAPSATISGLKPGVDYTITVYAATCLGSYSRPISINYRT
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                                          (00:00:58)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:59)

• Minimal score value: -2.5551
• Maximal score value: 1.7424
• Average score: -0.4927
• Total score value: -55.6718

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	1.2803
2	S	A	-0.4970
3	D	A	-1.5950
4	V	A	-1.2855
5	P	A	0.0000
6	R	A	-2.2270
7	D	A	-2.5312
8	L	A	0.0000
9	E	A	-1.7766
10	V	A	0.1040
11	V	A	1.5568
12	A	A	0.9116
13	A	A	0.3050
14	T	A	-0.3428
15	P	A	-1.1405
16	T	A	-0.9935
17	S	A	-0.5209
18	L	A	0.0000
19	L	A	0.7908
20	I	A	0.0000
21	S	A	-0.5219
22	W	A	0.0000
23	Y	A	-0.2306
24	Y	A	0.0000
25	P	A	0.4223
26	F	A	0.8901
27	C	A	1.4298
28	A	A	1.3095
29	F	A	1.0131
30	Y	A	0.1322
31	Y	A	0.0000
32	R	A	-0.9140
33	I	A	0.0000
34	T	A	-0.5448
35	Y	A	-0.2581
36	G	A	0.0000
37	E	A	-1.4902
38	T	A	-1.2186
39	G	A	-1.2191
40	G	A	-1.3268
41	N	A	-1.5157
42	S	A	-0.8071
43	P	A	-0.2890
44	V	A	0.4901
45	Q	A	-0.7936
46	E	A	-1.6914
47	F	A	-0.9101
48	T	A	-0.6240
49	V	A	-0.2840
50	R	A	-1.2050
51	Y	A	0.3350
52	Y	A	0.2610
53	R	A	-0.8931
54	I	A	0.5022
55	T	A	0.0393
56	Y	A	0.6665
57	G	A	-0.8437
58	E	A	-2.0882
59	T	A	-1.3699
60	G	A	-1.7172
61	G	A	-1.8493
62	N	A	-1.7689
63	S	A	-1.1857
64	P	A	-0.6295
65	V	A	0.3519
66	Q	A	-1.1338
67	E	A	-1.3875
68	F	A	-0.2674
69	T	A	-0.4891
70	V	A	-0.0098
71	P	A	-0.5498
72	R	A	-1.5355
73	S	A	-0.8459
74	Y	A	0.0159
75	K	A	-1.2686
76	A	A	-0.5085
77	P	A	-0.0872
78	S	A	0.0793
79	A	A	0.0000
80	T	A	0.2803
81	I	A	0.0000
82	S	A	-0.6553
83	G	A	-1.0326
84	L	A	0.0000
85	K	A	-2.3752
86	P	A	-1.6708
87	G	A	-1.4595
88	V	A	-1.4571
89	D	A	-2.0943
90	Y	A	0.0000
91	T	A	-0.7168
92	I	A	0.0000
93	T	A	-0.1797
94	V	A	0.0000
95	Y	A	-0.0034
96	A	A	0.0000
97	A	A	0.0000
98	T	A	0.0000
99	C	A	1.6098
100	L	A	1.7424
101	G	A	0.5807
102	S	A	0.1668
103	Y	A	0.2286
104	S	A	0.0000
105	R	A	-1.9401
106	P	A	-1.0161
107	I	A	-0.6595
108	S	A	-0.6635
109	I	A	-0.7352
110	N	A	-1.7316
111	Y	A	-1.5032
112	R	A	-2.5551
113	T	A	-1.5355