Project name: query_structure

Chain sequence(s)	A: VSSVPTKLEVVAATPTSLLISWDASSSSVSYYRITYGETGGNSPVQEFTVPGSSSTATISGLKPGVDYTITVYAYYWGYGRSYVYSPISINYRT
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.                                          (00:00:33)

• Minimal score value: -2.5069
• Maximal score value: 1.9855
• Average score: -0.3037
• Total score value: -28.552

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	1.6799
2	S	A	0.6578
3	S	A	0.5732
4	V	A	0.3648
5	P	A	0.0000
6	T	A	-1.4277
7	K	A	-2.5025
8	L	A	0.0000
9	E	A	-1.7076
10	V	A	0.1565
11	V	A	1.5402
12	A	A	0.8867
13	A	A	0.2989
14	T	A	-0.6002
15	P	A	-1.1590
16	T	A	-1.0149
17	S	A	-0.5574
18	L	A	0.0000
19	L	A	0.7130
20	I	A	0.0000
21	S	A	-0.6499
22	W	A	0.0000
23	D	A	-2.1134
24	A	A	-1.0103
25	S	A	-0.5982
26	S	A	-0.4497
27	S	A	-0.3706
28	S	A	-0.0362
29	V	A	0.5056
30	S	A	0.4252
31	Y	A	0.5257
32	Y	A	0.0000
33	R	A	-0.2918
34	I	A	0.0000
35	T	A	-0.5475
36	Y	A	-0.2329
37	G	A	0.0000
38	E	A	-1.4321
39	T	A	-1.1876
40	G	A	-1.2083
41	G	A	-1.3103
42	N	A	-1.5044
43	S	A	-0.7996
44	P	A	-0.2803
45	V	A	0.4975
46	Q	A	-0.7636
47	E	A	-1.6021
48	F	A	-0.6381
49	T	A	-0.2178
50	V	A	0.0469
51	P	A	-0.2012
52	G	A	-0.1569
53	S	A	-0.3258
54	S	A	-0.3366
55	S	A	-0.4996
56	T	A	-0.1844
57	A	A	0.0000
58	T	A	0.3027
59	I	A	0.0000
60	S	A	-0.6687
61	G	A	-1.0410
62	L	A	0.0000
63	K	A	-2.3571
64	P	A	-1.6632
65	G	A	-1.4325
66	V	A	-1.4028
67	D	A	-2.0552
68	Y	A	0.0000
69	T	A	-0.6908
70	I	A	0.0000
71	T	A	-0.1511
72	V	A	0.0000
73	Y	A	0.6060
74	A	A	0.0000
75	Y	A	1.0930
76	Y	A	1.2364
77	W	A	1.1937
78	G	A	0.5054
79	Y	A	0.7795
80	G	A	-0.4597
81	R	A	-1.0875
82	S	A	0.2893
83	Y	A	1.1927
84	V	A	1.9855
85	Y	A	1.2739
86	S	A	0.4733
87	P	A	0.3496
88	I	A	0.1183
89	S	A	-0.4647
90	I	A	-0.5816
91	N	A	-1.4563
92	Y	A	-1.3751
93	R	A	-2.5069
94	T	A	-1.5105