Project name: query_structure

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

• Minimal score value: -3.1548
• Maximal score value: 2.2151
• Average score: -0.5147
• Total score value: -47.8657

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	E	A	-1.3657
2	V	A	0.3891
3	V	A	1.6175
4	A	A	0.9312
5	A	A	0.3214
6	T	A	-0.5404
7	P	A	-1.1776
8	T	A	-1.0391
9	S	A	-0.5338
10	L	A	0.0000
11	L	A	0.8040
12	I	A	0.0000
13	S	A	-0.6178
14	W	A	0.0000
15	D	A	-2.1088
16	A	A	-0.8424
17	P	A	-0.0709
18	A	A	0.6783
19	V	A	1.5762
20	T	A	0.4091
21	V	A	-0.4402
22	R	A	-1.5492
23	Y	A	-0.8635
24	Y	A	0.0000
25	R	A	-0.8693
26	I	A	0.0000
27	T	A	-0.7737
28	Y	A	-0.1390
29	G	A	0.0000
30	R	A	-0.4743
31	E	A	-0.0677
32	V	A	0.8628
33	Q	A	-0.3740
34	K	A	-1.3796
35	Y	A	0.1842
36	S	A	-0.2070
37	D	A	-0.9743
38	L	A	0.8312
39	G	A	-0.0312
40	P	A	-0.1720
41	L	A	0.9242
42	Y	A	1.5047
43	I	A	2.2151
44	Y	A	1.0746
45	Q	A	-0.9369
46	E	A	-1.9241
47	F	A	-0.7685
48	T	A	-0.2995
49	V	A	0.0000
50	P	A	-1.0408
51	G	A	-1.2712
52	S	A	-1.2728
53	K	A	-1.8525
54	S	A	-1.3049
55	T	A	-0.7081
56	A	A	0.0000
57	T	A	0.2196
58	I	A	0.0000
59	S	A	-0.6649
60	G	A	-1.0428
61	L	A	0.0000
62	K	A	-2.5997
63	P	A	-1.9074
64	G	A	-1.8811
65	V	A	0.0000
66	D	A	-3.1512
67	Y	A	0.0000
68	T	A	-0.7755
69	I	A	0.0000
70	T	A	0.0000
71	V	A	0.0000
72	Y	A	-0.1647
73	A	A	0.0000
74	V	A	0.0000
75	T	A	-0.3141
76	G	A	-0.9184
77	S	A	-1.0740
78	G	A	-1.4944
79	E	A	-2.2244
80	S	A	-1.3924
81	P	A	-1.1665
82	A	A	-0.6783
83	S	A	-0.7219
84	S	A	-0.6174
85	K	A	-1.5482
86	P	A	-0.4899
87	I	A	0.1285
88	S	A	-0.2453
89	I	A	-0.4737
90	N	A	-2.0049
91	Y	A	-1.9172
92	R	A	-3.1548
93	T	A	-1.9235