Project name: query_structure

Chain sequence(s)	A: GAIEVKDVTDTTALITWAKPWVDPPPLWGCELTYGIKDVPGDRTTIDLQQKHTAYSIGNLKPDTEYEVSLICFDPYGMRSKPAKETFTT
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                                          (00:01:16)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:16)

• Minimal score value: -3.1806
• Maximal score value: 1.4357
• Average score: -0.9115
• Total score value: -81.1204

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	-0.9772
2	A	A	-1.1179
3	I	A	0.0000
4	E	A	-1.9551
5	V	A	-1.3679
6	K	A	-2.0518
7	D	A	-1.9706
8	V	A	-0.9265
9	T	A	-1.6122
10	D	A	-2.7725
11	T	A	-2.1349
12	T	A	-1.5383
13	A	A	0.0000
14	L	A	-0.7712
15	I	A	0.0000
16	T	A	-0.6442
17	W	A	0.0000
18	A	A	-0.3696
19	K	A	-0.3959
20	P	A	0.1425
21	W	A	0.9766
22	V	A	0.7330
23	D	A	-1.2453
24	P	A	-0.7154
25	P	A	-0.2228
26	P	A	0.6603
27	L	A	1.1670
28	W	A	0.3389
29	G	A	0.0000
30	C	A	0.0000
31	E	A	-1.4658
32	L	A	0.0000
33	T	A	-0.6762
34	Y	A	-0.6945
35	G	A	0.0000
36	I	A	-1.5040
37	K	A	-2.1106
38	D	A	-2.1663
39	V	A	-0.9668
40	P	A	-1.0474
41	G	A	-1.1007
42	D	A	-1.4643
43	R	A	-1.1655
44	T	A	-0.5288
45	T	A	-0.7142
46	I	A	-0.9338
47	D	A	-2.3077
48	L	A	0.0000
49	Q	A	-2.4066
50	Q	A	-1.8434
51	K	A	-2.4091
52	H	A	-1.8930
53	T	A	-0.8324
54	A	A	-0.3876
55	Y	A	0.2090
56	S	A	-0.2749
57	I	A	0.0000
58	G	A	-1.4039
59	N	A	-2.1648
60	L	A	0.0000
61	K	A	-3.1806
62	P	A	-3.0174
63	D	A	-3.0952
64	T	A	0.0000
65	E	A	-2.7161
66	Y	A	0.0000
67	E	A	-1.6851
68	V	A	0.0000
69	S	A	0.0000
70	L	A	0.0000
71	I	A	-1.0270
72	C	A	0.0000
73	F	A	0.1437
74	D	A	0.0000
75	P	A	0.9476
76	Y	A	1.4357
77	G	A	0.4422
78	M	A	0.3716
79	R	A	-1.5351
80	S	A	-1.4591
81	K	A	-2.3087
82	P	A	-1.7647
83	A	A	-1.6694
84	K	A	-2.5025
85	E	A	-2.0131
86	T	A	-1.5151
87	F	A	0.0000
88	T	A	-1.7184
89	T	A	-2.2294