Project name: query_structure

Chain sequence(s)	A: VSSVPTKLEVVAATPTSLLISWDAPAVTVHFYFITYGETGVYGAGPQAFKVPGSKSTATISGLSPGVDYTITVYARRYHYPGGYYSPISINYRT
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                                          (00:01:40)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:42)

• Minimal score value: -2.7503
• Maximal score value: 1.8115
• Average score: -0.382
• Total score value: -35.9079

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	1.8115
2	S	A	0.8703
3	S	A	0.5797
4	V	A	0.5528
5	P	A	0.0000
6	T	A	-1.5908
7	K	A	-2.6083
8	L	A	0.0000
9	E	A	-1.9203
10	V	A	0.0953
11	V	A	1.5422
12	A	A	0.8976
13	A	A	0.3135
14	T	A	-0.2036
15	P	A	-0.8048
16	T	A	-0.5339
17	S	A	-0.3185
18	L	A	0.0000
19	L	A	0.7489
20	I	A	0.0000
21	S	A	-0.9574
22	W	A	0.0000
23	D	A	-2.5959
24	A	A	-1.2486
25	P	A	0.0273
26	A	A	0.4327
27	V	A	0.3450
28	T	A	-0.4035
29	V	A	0.0000
30	H	A	-1.3873
31	F	A	-1.1500
32	Y	A	0.0000
33	F	A	0.2287
34	I	A	0.0000
35	T	A	-0.3504
36	Y	A	-0.6280
37	G	A	-0.7655
38	E	A	-1.0943
39	T	A	-0.8075
40	G	A	0.2044
41	V	A	1.4847
42	Y	A	1.5686
43	G	A	0.4180
44	A	A	0.0074
45	G	A	-0.5702
46	P	A	-0.7859
47	Q	A	-1.2329
48	A	A	-0.5331
49	F	A	-0.2759
50	K	A	-1.2055
51	V	A	0.0000
52	P	A	-1.2234
53	G	A	-1.5227
54	S	A	-1.2702
55	K	A	-2.1248
56	S	A	-1.3856
57	T	A	-0.7488
58	A	A	0.0000
59	T	A	0.2374
60	I	A	0.0000
61	S	A	-0.4771
62	G	A	-0.6868
63	L	A	0.0000
64	S	A	-0.9813
65	P	A	-1.1099
66	G	A	-1.2928
67	V	A	-1.3894
68	D	A	-2.5831
69	Y	A	0.0000
70	T	A	-1.0879
71	I	A	0.0000
72	T	A	0.0000
73	V	A	0.0000
74	Y	A	0.4232
75	A	A	0.0000
76	R	A	-0.7781
77	R	A	-1.0654
78	Y	A	0.0776
79	H	A	-0.2552
80	Y	A	0.7400
81	P	A	0.2353
82	G	A	0.0822
83	G	A	0.3931
84	Y	A	1.2506
85	Y	A	0.8910
86	S	A	0.0000
87	P	A	0.4968
88	I	A	0.2205
89	S	A	-0.5118
90	I	A	-0.7213
91	N	A	-1.9668
92	Y	A	-1.7841
93	R	A	-2.7503
94	T	A	-1.3953