Project name: query_structure

Chain sequence(s)	A: VSSVPTKLEVVAATPTSLLISWDAPAVTVVHYVITYGETGASPYYYQKFAVPGSKSTATISGLKPGVDYTITVYAYDGFYYTNNDSPISINYRT
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                                          (00:01:07)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:08)

• Minimal score value: -2.6917
• Maximal score value: 2.6163
• Average score: -0.3416
• Total score value: -32.1078

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	1.8053
2	S	A	0.7500
3	S	A	0.1589
4	V	A	-0.1883
5	P	A	0.0000
6	T	A	-1.6871
7	K	A	-2.6640
8	L	A	0.0000
9	E	A	-1.9415
10	V	A	0.0761
11	V	A	1.5265
12	A	A	0.8924
13	A	A	0.3279
14	T	A	-0.5400
15	P	A	-1.1842
16	T	A	-1.0437
17	S	A	-0.5383
18	L	A	0.0000
19	L	A	0.7485
20	I	A	0.0000
21	S	A	-0.9849
22	W	A	0.0000
23	D	A	-2.6917
24	A	A	-1.2550
25	P	A	0.0115
26	A	A	0.4912
27	V	A	0.8997
28	T	A	0.3192
29	V	A	0.4098
30	V	A	1.0950
31	H	A	0.0093
32	Y	A	0.0000
33	V	A	0.0173
34	I	A	0.0000
35	T	A	-0.6676
36	Y	A	-0.6637
37	G	A	0.0000
38	E	A	-1.5651
39	T	A	-1.2709
40	G	A	-0.8667
41	A	A	-0.1314
42	S	A	0.4764
43	P	A	0.5533
44	Y	A	1.7222
45	Y	A	1.3975
46	Y	A	0.1210
47	Q	A	-1.1672
48	K	A	-1.6383
49	F	A	-0.4105
50	A	A	-0.0292
51	V	A	0.0000
52	P	A	-0.4977
53	G	A	-0.3598
54	S	A	-0.8869
55	K	A	-1.9167
56	S	A	-1.4565
57	T	A	-0.7545
58	A	A	0.0000
59	T	A	0.2416
60	I	A	0.0000
61	S	A	-0.6590
62	G	A	-1.0446
63	L	A	0.0000
64	K	A	-2.4900
65	P	A	-1.8052
66	G	A	-1.5606
67	V	A	-1.6267
68	D	A	-2.2399
69	Y	A	0.0000
70	T	A	-1.0507
71	I	A	0.0000
72	T	A	-0.2035
73	V	A	0.0000
74	Y	A	-0.0142
75	A	A	0.0000
76	Y	A	0.8766
77	D	A	0.6877
78	G	A	1.1870
79	F	A	2.6163
80	Y	A	2.5732
81	Y	A	1.7883
82	T	A	0.4881
83	N	A	-0.7959
84	N	A	-1.3589
85	D	A	-2.1102
86	S	A	-1.1136
87	P	A	-0.4657
88	I	A	0.0872
89	S	A	-0.5194
90	I	A	-0.7374
91	N	A	-1.7873
92	Y	A	-1.5340
93	R	A	-2.6294
94	T	A	-1.7152