Project name: query_structure

Chain sequence(s)	A: GAIEVKDVTDTTALITWAKPWVDPPPLWGIELTYGIKDVPGDRTTIDLQQKHTAYSIGNLKPDTEYEVSLISFDPYGMRSKPAKETFTT
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                                          (00:02:26)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:28)

• Minimal score value: -3.1438
• Maximal score value: 1.3421
• Average score: -0.937
• Total score value: -83.3944

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	G	A	-1.0156
2	A	A	-0.9699
3	I	A	0.0000
4	E	A	-1.9486
5	V	A	-1.3675
6	K	A	-2.0822
7	D	A	-1.9759
8	V	A	-0.8621
9	T	A	-1.6013
10	D	A	-2.7537
11	T	A	-2.1136
12	T	A	-1.5140
13	A	A	0.0000
14	L	A	-0.8267
15	I	A	0.0000
16	T	A	-0.7238
17	W	A	0.0000
18	A	A	-0.5466
19	K	A	-0.7588
20	P	A	-0.1035
21	W	A	0.7016
22	V	A	0.1048
23	D	A	-1.4225
24	P	A	-0.8502
25	P	A	-0.1171
26	P	A	0.7106
27	L	A	1.3397
28	W	A	0.5291
29	G	A	-0.8577
30	I	A	0.0000
31	E	A	-1.0582
32	L	A	0.0000
33	T	A	-0.5701
34	Y	A	-0.6218
35	G	A	0.0000
36	I	A	-1.4453
37	K	A	-2.0663
38	D	A	-2.1512
39	V	A	-0.9415
40	P	A	-1.0364
41	G	A	-1.0757
42	D	A	-1.4216
43	R	A	-1.0829
44	T	A	-0.4730
45	T	A	-0.5576
46	I	A	-0.7134
47	D	A	-1.9844
48	L	A	0.0000
49	Q	A	-2.0971
50	Q	A	-1.5947
51	K	A	-2.2592
52	H	A	-1.6450
53	T	A	-0.8794
54	A	A	-0.4518
55	Y	A	0.0843
56	S	A	-0.3408
57	I	A	0.0000
58	G	A	-1.4406
59	N	A	-2.1347
60	L	A	0.0000
61	K	A	-3.1438
62	P	A	-2.9996
63	D	A	-3.0643
64	T	A	0.0000
65	E	A	-2.5512
66	Y	A	0.0000
67	E	A	-1.5991
68	V	A	0.0000
69	S	A	-1.2155
70	L	A	0.0000
71	I	A	-1.0858
72	S	A	-0.8990
73	F	A	0.0225
74	D	A	0.0000
75	P	A	0.9718
76	Y	A	1.3421
77	G	A	0.2092
78	M	A	0.2518
79	R	A	-1.5926
80	S	A	-1.5617
81	K	A	-2.3877
82	P	A	-1.8191
83	A	A	-1.6915
84	K	A	-2.4678
85	E	A	-1.8751
86	T	A	-1.4188
87	F	A	0.0000
88	T	A	-1.6493
89	T	A	-2.1860