Project name: query_structure

Chain sequence(s)	A: SVSSVPTKLEVVAATPTSLLISWDAPAVTVVHYVITYGETGGNSPVQEFTVPGSKSTATISGLKPGVDYTITVYTMSEYYSYSDLYSYSSPISINYRT
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]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:15)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:17)

• Minimal score value: -2.5333
• Maximal score value: 1.7067
• Average score: -0.2743
• Total score value: -26.8785

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	S	A	0.5661
2	V	A	1.7067
3	S	A	0.7245
4	S	A	0.7465
5	V	A	0.6823
6	P	A	0.0000
7	T	A	-1.2749
8	K	A	-2.3647
9	L	A	0.0000
10	E	A	-1.7741
11	V	A	0.1679
12	V	A	1.5951
13	A	A	0.9456
14	A	A	0.3538
15	T	A	-0.1482
16	P	A	-1.0878
17	T	A	-0.9801
18	S	A	-0.4843
19	L	A	0.0000
20	L	A	0.8695
21	I	A	0.0000
22	S	A	-0.7129
23	W	A	0.0000
24	D	A	-1.6530
25	A	A	-0.6914
26	P	A	0.2782
27	A	A	0.5789
28	V	A	0.8798
29	T	A	-0.0168
30	V	A	0.0135
31	V	A	-0.0690
32	H	A	-0.3349
33	Y	A	0.0000
34	V	A	0.0000
35	I	A	0.0000
36	T	A	-0.5270
37	Y	A	-0.3989
38	G	A	0.0000
39	E	A	-1.6934
40	T	A	-1.2738
41	G	A	-1.2584
42	G	A	-1.4584
43	N	A	-1.5622
44	S	A	-0.9017
45	P	A	-0.4080
46	V	A	0.2635
47	Q	A	-1.1975
48	E	A	-1.7111
49	F	A	-0.6423
50	T	A	-0.2105
51	V	A	0.0000
52	P	A	-0.6222
53	G	A	-0.5906
54	S	A	-0.8826
55	K	A	-1.5804
56	S	A	-0.9940
57	T	A	-0.4860
58	A	A	0.0000
59	T	A	0.1176
60	I	A	0.0000
61	S	A	-0.6326
62	G	A	-1.0182
63	L	A	0.0000
64	K	A	-2.3662
65	P	A	-1.6496
66	G	A	-1.4494
67	V	A	-1.4451
68	D	A	-2.1254
69	Y	A	0.0000
70	T	A	-0.7899
71	I	A	0.0000
72	T	A	-0.0962
73	V	A	0.0000
74	Y	A	0.4589
75	T	A	0.0000
76	M	A	0.6064
77	S	A	0.5213
78	E	A	-0.3988
79	Y	A	1.5356
80	Y	A	1.6684
81	S	A	1.0778
82	Y	A	1.4229
83	S	A	0.3524
84	D	A	-0.6558
85	L	A	1.2980
86	Y	A	1.1320
87	S	A	1.0277
88	Y	A	1.5267
89	S	A	0.7283
90	S	A	0.1643
91	P	A	0.1268
92	I	A	0.0726
93	S	A	-0.5131
94	I	A	-0.7045
95	N	A	-1.7446
96	Y	A	-1.4863
97	R	A	-2.5333
98	T	A	-1.4880