Project name: query_structure

Chain sequence(s)	A: VSSVPTKLEVVAATPTSLLISWDAPAVTVDFYFITYGETGGNSPVQEFTVPGSKSTATISGLKPGVDYTITVYAWTGYPSQIKASPISIYRT
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]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:27)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:28)

• Minimal score value: -2.553
• Maximal score value: 1.7629
• Average score: -0.3449
• Total score value: -31.7354

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	1.7629
2	S	A	0.7343
3	S	A	0.5203
4	V	A	0.0990
5	P	A	0.0000
6	T	A	-1.5624
7	K	A	-2.5530
8	L	A	0.0000
9	E	A	-1.4835
10	V	A	0.4448
11	V	A	1.6667
12	A	A	0.9736
13	A	A	0.2741
14	T	A	-0.4020
15	P	A	-1.1010
16	T	A	-1.0079
17	S	A	-0.5483
18	L	A	0.0000
19	L	A	0.8268
20	I	A	0.0000
21	S	A	-0.8299
22	W	A	0.0000
23	D	A	-2.4486
24	A	A	-1.1183
25	P	A	0.0000
26	A	A	0.4918
27	V	A	0.6615
28	T	A	-0.1115
29	V	A	-0.5046
30	D	A	-1.5729
31	F	A	-0.3979
32	Y	A	0.0000
33	F	A	0.6711
34	I	A	0.0000
35	T	A	-0.3180
36	Y	A	0.0000
37	G	A	0.0000
38	E	A	-1.2165
39	T	A	-0.7642
40	G	A	-1.1181
41	G	A	-1.2620
42	N	A	-1.5128
43	S	A	-0.8089
44	P	A	-0.2987
45	V	A	0.4564
46	Q	A	-0.8242
47	E	A	-1.4603
48	F	A	-0.4578
49	T	A	0.1878
50	V	A	0.0000
51	P	A	-0.8892
52	G	A	-1.0220
53	S	A	-1.3280
54	K	A	-2.1143
55	S	A	-1.3162
56	T	A	-0.6967
57	A	A	0.0000
58	T	A	0.2665
59	I	A	0.0000
60	S	A	-0.6643
61	G	A	-1.0453
62	L	A	0.0000
63	K	A	-2.0932
64	P	A	-1.5269
65	G	A	-1.2628
66	V	A	-1.0471
67	D	A	-1.0813
68	Y	A	0.0000
69	T	A	-0.0091
70	I	A	0.0000
71	T	A	0.1033
72	V	A	0.0000
73	Y	A	0.7830
74	A	A	0.4045
75	W	A	0.4945
76	T	A	-0.0495
77	G	A	-0.1183
78	Y	A	0.9951
79	P	A	0.3282
80	S	A	-0.0666
81	Q	A	-0.3393
82	I	A	0.7565
83	K	A	-0.7562
84	A	A	-0.0237
85	S	A	-0.2122
86	P	A	-0.2443
87	I	A	-0.2020
88	S	A	0.0634
89	I	A	0.0995
90	Y	A	0.3625
91	R	A	-1.3234
92	T	A	-1.0483