Project name: query_structure

Chain sequence(s)	A: RAGPGFLGNVLVDPTAVIGQNCTIGPNVTIGAGVVLEDGVRVKRCTILKGAHIRSHSWLESCIVGWSSSVGQWVRMENVTVLGEDVIVNDELYINGANVLPHKSITDSVPEPRIIM
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                                          (00:01:10)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:10)

• Minimal score value: -2.6079
• Maximal score value: 1.8718
• Average score: -0.5707
• Total score value: -66.2027

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	R	A	-1.5283
2	A	A	-0.7719
3	G	A	-0.5380
4	P	A	-0.3530
5	G	A	-0.6247
6	F	A	-0.1976
7	L	A	-0.0640
8	G	A	-0.9864
9	N	A	-1.7095
10	V	A	-0.6533
11	L	A	0.6027
12	V	A	0.3488
13	D	A	-0.3679
14	P	A	-0.2565
15	T	A	-0.0355
16	A	A	0.0000
17	V	A	1.8718
18	I	A	0.6410
19	G	A	-0.9173
20	Q	A	-2.2177
21	N	A	-2.3802
22	C	A	0.0000
23	T	A	-0.6797
24	I	A	0.0000
25	G	A	0.0000
26	P	A	-1.4433
27	N	A	-2.0427
28	V	A	0.0000
29	T	A	0.0090
30	I	A	0.0000
31	G	A	-0.4651
32	A	A	-0.5945
33	G	A	-0.5178
34	V	A	0.0000
35	V	A	0.5274
36	L	A	0.0000
37	E	A	-1.3747
38	D	A	-2.2407
39	G	A	0.0000
40	V	A	0.0000
41	R	A	-1.4079
42	V	A	0.0000
43	K	A	-1.5611
44	R	A	-1.9446
45	C	A	0.0000
46	T	A	-0.1870
47	I	A	0.0000
48	L	A	-0.4339
49	K	A	-1.6658
50	G	A	-1.1483
51	A	A	0.0000
52	H	A	-0.2450
53	I	A	0.0000
54	R	A	-1.2034
55	S	A	-1.5314
56	H	A	-1.6179
57	S	A	0.0000
58	W	A	-0.7661
59	L	A	0.0000
60	E	A	-1.1681
61	S	A	-0.6107
62	C	A	0.0000
63	I	A	1.0571
64	V	A	0.0000
65	G	A	0.0000
66	W	A	-0.3673
67	S	A	-0.9240
68	S	A	0.0000
69	S	A	-0.3273
70	V	A	0.0000
71	G	A	0.0000
72	Q	A	-1.5291
73	W	A	-0.7236
74	V	A	0.0000
75	R	A	-1.5758
76	M	A	0.0000
77	E	A	-0.9463
78	N	A	-0.9036
79	V	A	0.9476
80	T	A	0.0000
81	V	A	0.9265
82	L	A	0.0000
83	G	A	-0.5277
84	E	A	-1.4516
85	D	A	-1.4943
86	V	A	0.0000
87	I	A	-0.3304
88	V	A	0.0000
89	N	A	-2.0315
90	D	A	-2.2742
91	E	A	-2.6079
92	L	A	0.0000
93	Y	A	-1.3228
94	I	A	0.0000
95	N	A	-1.4956
96	G	A	-0.8425
97	A	A	0.0000
98	N	A	0.4560
99	V	A	0.0000
100	L	A	0.2666
101	P	A	-0.9323
102	H	A	-1.5983
103	K	A	-0.9640
104	S	A	-0.8769
105	I	A	0.0000
106	T	A	-1.6314
107	D	A	-2.3742
108	S	A	-1.8213
109	V	A	0.0000
110	P	A	-1.6648
111	E	A	-2.4696
112	P	A	-1.7534
113	R	A	-1.2929
114	I	A	1.2223
115	I	A	1.1120
116	M	A	1.3146