Project name: query_structure

Chain sequence(s)	A: CSGPGIVGNVLVDPSARIGKNCSIGPNVSLGPGVVVEDGVCIRRCTVLRDARIRSHSWLESCIVCWRCRVGQWVRMENVTVLGEDVIVNDELYLNGASVLPHKSIGESVPEPGIIM
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.                                          (00:01:17)

• Minimal score value: -3.5278
• Maximal score value: 2.2147
• Average score: -0.729
• Total score value: -84.568

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	C	A	0.7494
2	S	A	0.1498
3	G	A	0.0793
4	P	A	-0.4661
5	G	A	-0.3507
6	I	A	0.7161
7	V	A	0.9231
8	G	A	-0.3802
9	N	A	-1.2519
10	V	A	-0.0034
11	L	A	1.2433
12	V	A	0.6997
13	D	A	-0.5453
14	P	A	-0.5567
15	S	A	-1.0634
16	A	A	-1.4217
17	R	A	-1.5969
18	I	A	-0.6893
19	G	A	-1.6026
20	K	A	-2.5596
21	N	A	-2.4529
22	C	A	0.0000
23	S	A	-0.3535
24	I	A	0.0000
25	G	A	0.0000
26	P	A	-1.4111
27	N	A	-2.2165
28	V	A	0.0000
29	S	A	-0.1191
30	L	A	0.0000
31	G	A	-0.7100
32	P	A	-1.4216
33	G	A	-2.0237
34	V	A	0.0000
35	V	A	-1.3838
36	V	A	0.0000
37	E	A	-1.6212
38	D	A	-1.9243
39	G	A	-1.5731
40	V	A	0.0000
41	C	A	-0.6651
42	I	A	0.0000
43	R	A	-1.9340
44	R	A	-2.7242
45	C	A	0.0000
46	T	A	-0.2105
47	V	A	0.0000
48	L	A	-1.2144
49	R	A	-2.8247
50	D	A	-3.2992
51	A	A	0.0000
52	R	A	-2.6455
53	I	A	0.0000
54	R	A	-1.2702
55	S	A	-1.3361
56	H	A	-1.4340
57	S	A	0.0000
58	W	A	-0.5320
59	L	A	0.0000
60	E	A	-1.5003
61	S	A	-1.0111
62	C	A	0.0000
63	I	A	1.0472
64	V	A	0.0000
65	C	A	-0.7907
66	W	A	-1.8769
67	R	A	-3.5278
68	C	A	0.0000
69	R	A	-2.4214
70	V	A	0.0000
71	G	A	0.0000
72	Q	A	-1.5349
73	W	A	-0.8445
74	V	A	0.0000
75	R	A	-1.6507
76	M	A	0.0000
77	E	A	-1.1202
78	N	A	-0.9947
79	V	A	0.9281
80	T	A	0.0000
81	V	A	1.2304
82	L	A	0.0000
83	G	A	0.0000
84	E	A	-1.8190
85	D	A	-2.5105
86	V	A	0.0000
87	I	A	-1.4006
88	V	A	0.0000
89	N	A	-2.4845
90	D	A	-2.3621
91	E	A	-2.7450
92	L	A	0.0000
93	Y	A	-1.4523
94	L	A	0.0000
95	N	A	-1.2857
96	G	A	-0.3611
97	A	A	0.0000
98	S	A	1.4685
99	V	A	0.0000
100	L	A	0.5329
101	P	A	-0.8770
102	H	A	-1.7767
103	K	A	-0.9746
104	S	A	-1.1886
105	I	A	0.0000
106	G	A	-2.0931
107	E	A	-2.6060
108	S	A	-1.9249
109	V	A	-0.9189
110	P	A	-1.4319
111	E	A	-2.0304
112	P	A	-0.9341
113	G	A	0.3123
114	I	A	2.2147
115	I	A	1.7268
116	M	A	1.6491