Project name: query_structure

Chain sequence(s)	A: GSSVPTNLEVVAATPTSLLISWDASSSSVSYYRITYGETGGNSPVQEFTVPSYYSTATISGLKPGVDYTITVYAYYYSYYYYYSYSPISINYRT
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.                                          (00:00:31)

• Minimal score value: -2.4771
• Maximal score value: 3.5562
• Average score: -0.0532
• Total score value: -5.0029

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	G	A	-0.5859
2	S	A	-0.3826
3	S	A	-0.1542
4	V	A	-0.0749
5	P	A	0.0000
6	T	A	-1.3048
7	N	A	-2.0830
8	L	A	0.0000
9	E	A	-1.6963
10	V	A	0.1892
11	V	A	1.5682
12	A	A	0.9224
13	A	A	0.3335
14	T	A	-0.1575
15	P	A	-1.1142
16	T	A	-1.0001
17	S	A	-0.5024
18	L	A	0.0000
19	L	A	0.8059
20	I	A	0.0000
21	S	A	-0.4398
22	W	A	0.0000
23	D	A	-1.8705
24	A	A	-0.4609
25	S	A	-0.5129
26	S	A	-0.5897
27	S	A	-0.2172
28	S	A	0.0039
29	V	A	0.7236
30	S	A	0.9272
31	Y	A	0.7691
32	Y	A	0.0000
33	R	A	-0.5236
34	I	A	0.0000
35	T	A	0.0000
36	Y	A	-0.2376
37	G	A	0.0000
38	E	A	-1.5693
39	T	A	-1.2518
40	G	A	-1.3116
41	G	A	-1.2430
42	N	A	-1.6842
43	S	A	-0.8395
44	P	A	-0.2508
45	V	A	0.5314
46	Q	A	-0.7514
47	E	A	-1.5981
48	F	A	-0.5734
49	T	A	-0.1986
50	V	A	0.6514
51	P	A	0.7268
52	S	A	1.0326
53	Y	A	1.9263
54	Y	A	1.7852
55	S	A	0.5440
56	T	A	0.4457
57	A	A	0.0000
58	T	A	0.1097
59	I	A	0.0000
60	S	A	-0.6466
61	G	A	-1.0211
62	L	A	0.0000
63	K	A	-2.3576
64	P	A	-1.6853
65	G	A	-1.4783
66	V	A	-1.4562
67	D	A	-1.9373
68	Y	A	-1.1879
69	T	A	-0.6823
70	I	A	0.0000
71	T	A	0.0000
72	V	A	0.0000
73	Y	A	0.1772
74	A	A	0.0000
75	Y	A	1.4074
76	Y	A	1.9009
77	Y	A	3.0566
78	S	A	2.5608
79	Y	A	2.6849
80	Y	A	3.1957
81	Y	A	3.5562
82	Y	A	3.4020
83	Y	A	2.7309
84	S	A	1.3460
85	Y	A	0.6415
86	S	A	0.0159
87	P	A	0.0594
88	I	A	-0.0048
89	S	A	-0.4614
90	I	A	-0.6249
91	N	A	-1.6481
92	Y	A	-1.3990
93	R	A	-2.4771
94	T	A	-1.4867