Project name: query_structure

Chain sequence(s)	A: VSSVPTKLEVVAATPTSLLISWDAPAVTVDFYFITYGETGGNSPVQEFTVPGSKSTATISGLKPGVDYTITVYAWSDYYPLYWEGSSSPISIYRT
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                                          (00:00:33)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:34)

• Minimal score value: -2.5459
• Maximal score value: 2.7089
• Average score: -0.2014
• Total score value: -19.1293

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	1.7979
2	S	A	0.8223
3	S	A	0.7148
4	V	A	0.3598
5	P	A	0.0000
6	T	A	-1.5013
7	K	A	-2.5459
8	L	A	0.0000
9	E	A	-1.6889
10	V	A	0.3478
11	V	A	1.5545
12	A	A	0.8995
13	A	A	0.2643
14	T	A	-0.4016
15	P	A	-1.1220
16	T	A	-1.0145
17	S	A	-0.5581
18	L	A	0.0000
19	L	A	0.7371
20	I	A	0.0000
21	S	A	-0.8918
22	W	A	0.0000
23	D	A	-2.4406
24	A	A	-1.1229
25	P	A	0.0000
26	A	A	0.4597
27	V	A	0.8736
28	T	A	0.1844
29	V	A	0.1505
30	D	A	-0.3146
31	F	A	0.4410
32	Y	A	0.0000
33	F	A	0.4588
34	I	A	0.0000
35	T	A	-0.3821
36	Y	A	0.0000
37	G	A	0.0000
38	E	A	-1.1842
39	T	A	-0.7643
40	G	A	-1.1005
41	G	A	-1.2315
42	N	A	-1.4909
43	S	A	-0.7693
44	P	A	-0.2682
45	V	A	0.5000
46	Q	A	-0.7633
47	E	A	-1.4833
48	F	A	-0.5047
49	T	A	0.2198
50	V	A	0.0000
51	P	A	-0.4139
52	G	A	-0.4096
53	S	A	-1.0401
54	K	A	-1.9776
55	S	A	-1.2974
56	T	A	-0.7445
57	A	A	0.0000
58	T	A	0.2304
59	I	A	0.0000
60	S	A	-0.6691
61	G	A	-1.0492
62	L	A	0.0000
63	K	A	-2.1015
64	P	A	-1.5797
65	G	A	-1.3788
66	V	A	-1.1394
67	D	A	-1.2255
68	Y	A	0.0000
69	T	A	-0.0204
70	I	A	0.0000
71	T	A	0.0464
72	V	A	0.0000
73	Y	A	0.5403
74	A	A	0.0000
75	W	A	0.5867
76	S	A	0.1829
77	D	A	-0.7359
78	Y	A	1.2881
79	Y	A	2.2686
80	P	A	1.3919
81	L	A	2.7089
82	Y	A	2.2479
83	W	A	1.3542
84	E	A	-0.7152
85	G	A	-0.1632
86	S	A	-0.1607
87	S	A	-0.0950
88	S	A	-0.1057
89	P	A	-0.0082
90	I	A	-0.1429
91	S	A	0.1728
92	I	A	0.0000
93	Y	A	0.4232
94	R	A	-1.4825
95	T	A	-1.1569