Project name: query_structure

Chain sequence(s)	A: VSSVPTKLEVVAATPTSLLISWDAPAVTVDYYVITYGETGGWSGYQEFEVPGSKSTATISGLSPGVDYTITVYAYGYPYVKYNKSPISINYRT
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:34)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:36)

• Minimal score value: -2.4138
• Maximal score value: 2.2354
• Average score: -0.4152
• Total score value: -38.6152

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	1.7988
2	S	A	0.5139
3	S	A	0.0000
4	V	A	-0.1422
5	P	A	0.0000
6	T	A	-1.3423
7	K	A	-2.3794
8	L	A	0.0000
9	E	A	-1.7580
10	V	A	0.1115
11	V	A	1.5406
12	A	A	0.8999
13	A	A	0.3232
14	T	A	-0.1964
15	P	A	-0.8046
16	T	A	-0.5344
17	S	A	-0.3173
18	L	A	0.0000
19	L	A	0.7480
20	I	A	0.0000
21	S	A	-0.7747
22	W	A	0.0000
23	D	A	-1.7280
24	A	A	-0.7939
25	P	A	0.2474
26	A	A	0.5973
27	V	A	0.7270
28	T	A	0.1420
29	V	A	-0.0810
30	D	A	-0.5158
31	Y	A	-0.7158
32	Y	A	0.0000
33	V	A	-0.7734
34	I	A	0.0000
35	T	A	0.0000
36	Y	A	-0.6110
37	G	A	0.0000
38	E	A	-1.2091
39	T	A	-1.0084
40	G	A	-0.6264
41	G	A	-0.2298
42	W	A	0.7799
43	S	A	-0.0465
44	G	A	-0.4348
45	Y	A	-0.2296
46	Q	A	-1.5011
47	E	A	-2.1408
48	F	A	-1.2146
49	E	A	-1.8090
50	V	A	0.0000
51	P	A	-1.3389
52	G	A	-1.2648
53	S	A	-1.2572
54	K	A	-2.0190
55	S	A	-1.1665
56	T	A	-0.6278
57	A	A	0.0000
58	T	A	0.2396
59	I	A	0.0000
60	S	A	-0.4763
61	G	A	-0.6866
62	L	A	0.0000
63	S	A	-0.8594
64	P	A	-0.9971
65	G	A	-1.1005
66	V	A	-0.9686
67	D	A	-1.9147
68	Y	A	0.0000
69	T	A	-0.8993
70	I	A	0.0000
71	T	A	0.0000
72	V	A	0.0000
73	Y	A	-0.3717
74	A	A	0.0000
75	Y	A	0.5423
76	G	A	0.0000
77	Y	A	1.8115
78	P	A	1.4055
79	Y	A	2.2354
80	V	A	2.0897
81	K	A	-0.1315
82	Y	A	-0.3983
83	N	A	-1.9964
84	K	A	-2.4138
85	S	A	-1.3284
86	P	A	-0.6491
87	I	A	-0.3538
88	S	A	-0.5384
89	I	A	-0.7106
90	N	A	-1.7602
91	Y	A	-1.5115
92	R	A	-2.3843
93	T	A	-1.3257