Project name: query_structure

Chain sequence(s)	A: GSSVPTNLEVVAATPTSLLISWDASSSSVSYYRITYGETGGNSPVQEFTVPSSYSTATISGLKPGVDYTITVYAYYYSYYYYYSYSPISINYRT
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                                          (00:00:32)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:32)

• Minimal score value: -2.6944
• Maximal score value: 3.6323
• Average score: -0.1046
• Total score value: -9.8354

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	-0.5861
2	S	A	-0.3995
3	S	A	-0.1740
4	V	A	-0.1345
5	P	A	0.0000
6	T	A	-1.3030
7	N	A	-2.0860
8	L	A	0.0000
9	E	A	-1.7107
10	V	A	0.1677
11	V	A	1.5583
12	A	A	0.9141
13	A	A	0.3002
14	T	A	-0.1599
15	P	A	-1.0688
16	T	A	-0.9686
17	S	A	-0.5033
18	L	A	0.0000
19	L	A	0.7977
20	I	A	0.0000
21	S	A	-0.4496
22	W	A	0.0000
23	D	A	-1.8616
24	A	A	-0.6958
25	S	A	0.0000
26	S	A	-0.5945
27	S	A	-0.3672
28	S	A	0.0553
29	V	A	0.0000
30	S	A	0.7190
31	Y	A	0.4921
32	Y	A	0.0000
33	R	A	-0.5048
34	I	A	0.0000
35	T	A	0.0000
36	Y	A	-0.2254
37	G	A	0.0000
38	E	A	-1.5721
39	T	A	-1.3907
40	G	A	-1.3545
41	G	A	-1.1810
42	N	A	-1.6012
43	S	A	-0.7461
44	P	A	-0.1897
45	V	A	0.5730
46	Q	A	-0.7187
47	E	A	-1.5898
48	F	A	-0.5737
49	T	A	-0.2073
50	V	A	0.3842
51	P	A	0.1762
52	S	A	0.2151
53	S	A	0.3477
54	Y	A	1.0080
55	S	A	0.1656
56	T	A	0.2363
57	A	A	0.0000
58	T	A	0.0866
59	I	A	0.0000
60	S	A	-0.6419
61	G	A	-1.0217
62	L	A	0.0000
63	K	A	-2.3670
64	P	A	-1.6583
65	G	A	-1.4173
66	V	A	-1.5965
67	D	A	-2.4558
68	Y	A	0.0000
69	T	A	-0.8376
70	I	A	0.0000
71	T	A	0.0000
72	V	A	0.0000
73	Y	A	0.1563
74	A	A	0.0000
75	Y	A	1.4883
76	Y	A	2.0978
77	Y	A	3.1163
78	S	A	2.6544
79	Y	A	2.6898
80	Y	A	3.1909
81	Y	A	3.6323
82	Y	A	3.5969
83	Y	A	2.8636
84	S	A	1.3975
85	Y	A	0.7386
86	S	A	0.1092
87	P	A	0.0408
88	I	A	-0.0158
89	S	A	-0.4874
90	I	A	-0.6770
91	N	A	-1.8227
92	Y	A	-1.6183
93	R	A	-2.6944
94	T	A	-1.5754