Project name: query_structure

Chain sequence(s)	A: GSSVSSVPTKLEVVAATPTSLLISWDASSSSVSHYHITYGETGGNSPVQEFTVPGSSSTATISGLSPGVDYTITVYAFYSDDDLYFAFSPSSINYRT
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                                          (00:00:20)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:21)

• Minimal score value: -2.9475
• Maximal score value: 2.7692
• Average score: -0.3745
• Total score value: -36.3256

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	-0.4150
2	S	A	-0.0590
3	S	A	0.3278
4	V	A	1.1929
5	S	A	0.2430
6	S	A	-0.0266
7	V	A	-0.1438
8	P	A	0.0000
9	T	A	-1.2901
10	K	A	-2.3955
11	L	A	0.0000
12	E	A	-1.7044
13	V	A	0.1907
14	V	A	1.5807
15	A	A	0.9143
16	A	A	0.2929
17	T	A	-0.3898
18	P	A	-0.8120
19	T	A	-0.5263
20	S	A	-0.3182
21	L	A	0.0000
22	L	A	0.7549
23	I	A	0.0000
24	S	A	-0.6542
25	W	A	0.0000
26	D	A	-2.2377
27	A	A	-1.1246
28	S	A	-0.8009
29	S	A	-0.5514
30	S	A	-0.4024
31	S	A	-0.6775
32	V	A	0.0000
33	S	A	-0.4160
34	H	A	-0.3228
35	Y	A	0.0000
36	H	A	-0.2801
37	I	A	0.0000
38	T	A	-0.5650
39	Y	A	0.0000
40	G	A	0.0000
41	E	A	-1.2677
42	T	A	-1.1835
43	G	A	-1.2042
44	G	A	-1.3026
45	N	A	-1.5027
46	S	A	-0.8063
47	P	A	-0.3263
48	V	A	0.3903
49	Q	A	-0.9465
50	E	A	-1.6529
51	F	A	-0.5974
52	T	A	-0.2133
53	V	A	-0.0730
54	P	A	-0.4103
55	G	A	-0.4529
56	S	A	-0.4509
57	S	A	-0.4588
58	S	A	-0.6072
59	T	A	-0.1956
60	A	A	0.0000
61	T	A	0.2463
62	I	A	0.0000
63	S	A	-0.4743
64	G	A	-0.6857
65	L	A	0.0000
66	S	A	-0.8275
67	P	A	-0.9914
68	G	A	-1.0679
69	V	A	-0.8954
70	D	A	-1.8006
71	Y	A	0.0000
72	T	A	-0.7481
73	I	A	0.0000
74	T	A	-0.4384
75	V	A	0.0000
76	Y	A	0.4527
77	A	A	0.0000
78	F	A	0.9786
79	Y	A	0.0000
80	S	A	-0.8655
81	D	A	-2.1539
82	D	A	-2.9475
83	D	A	-1.9178
84	L	A	0.8591
85	Y	A	2.0144
86	F	A	2.7692
87	A	A	1.9819
88	F	A	1.5594
89	S	A	0.4097
90	P	A	0.1213
91	S	A	0.0000
92	S	A	-0.6666
93	I	A	-0.7815
94	N	A	-1.6983
95	Y	A	-1.3917
96	R	A	-2.3109
97	T	A	-1.1773