Project name: query_structure

Chain sequence(s)	A: VSSVPTKLEVVAATPTSLLISWDASSSSVSYYRITYGETGGNSPVQEFTVPGSSSTATISGLSPGVDYTITVYAYWWYRYYYYSYSPISINYRT
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                                          (00:00:22)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:23)

• Minimal score value: -2.6556
• Maximal score value: 3.12
• Average score: -0.1547
• Total score value: -14.5444

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	1.6951
2	S	A	0.7083
3	S	A	0.4707
4	V	A	0.1552
5	P	A	0.0000
6	T	A	-1.6288
7	K	A	-2.6556
8	L	A	0.0000
9	E	A	-1.9372
10	V	A	0.0830
11	V	A	1.5177
12	A	A	0.8861
13	A	A	0.2921
14	T	A	-0.3822
15	P	A	-0.8048
16	T	A	-0.5347
17	S	A	-0.3168
18	L	A	0.0000
19	L	A	0.7382
20	I	A	0.0000
21	S	A	-0.8036
22	W	A	0.0000
23	D	A	-2.5600
24	A	A	-1.2159
25	S	A	-0.5349
26	S	A	-0.2205
27	S	A	-0.3952
28	S	A	-0.0073
29	V	A	0.0000
30	S	A	0.5756
31	Y	A	0.3268
32	Y	A	0.0000
33	R	A	-0.5034
34	I	A	0.0000
35	T	A	0.0000
36	Y	A	0.0000
37	G	A	0.0000
38	E	A	-1.2885
39	T	A	-1.2173
40	G	A	-1.2146
41	G	A	-1.3328
42	N	A	-1.5190
43	S	A	-0.8123
44	P	A	-0.2931
45	V	A	0.4752
46	Q	A	-0.7683
47	E	A	-1.6016
48	F	A	-0.6135
49	T	A	-0.2196
50	V	A	0.0186
51	P	A	-0.2724
52	G	A	-0.2684
53	S	A	-0.3752
54	S	A	-0.4334
55	S	A	-0.6395
56	T	A	-0.2764
57	A	A	0.0000
58	T	A	0.3098
59	I	A	0.0000
60	S	A	-0.4729
61	G	A	-0.6880
62	L	A	0.0000
63	S	A	-0.8334
64	P	A	-0.9904
65	G	A	-1.0721
66	V	A	-0.9220
67	D	A	-1.8307
68	Y	A	0.0000
69	T	A	-0.7604
70	I	A	0.0000
71	T	A	-0.3653
72	V	A	0.0000
73	Y	A	0.1672
74	A	A	0.0000
75	Y	A	1.3467
76	W	A	1.8367
77	W	A	2.5343
78	Y	A	2.0270
79	R	A	0.1252
80	Y	A	2.0298
81	Y	A	2.9429
82	Y	A	3.1200
83	Y	A	2.5339
84	S	A	1.0974
85	Y	A	0.6309
86	S	A	0.0887
87	P	A	0.0500
88	I	A	0.1176
89	S	A	-0.5183
90	I	A	-0.7117
91	N	A	-1.7187
92	Y	A	-1.4206
93	R	A	-2.3179
94	T	A	-1.1759