Project name: query_structure

Chain sequence(s)	A: LQVDIVPSQGEISVGESKFFLCQVAGSLSGIRISWFSPNGEKLTPNQQRISVVWNDDSSSTLTIYNANIDDAGIYKCVVWRTGGYRHRYLVLGEATVNVKIFQ
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                                          (00:00:59)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:00)

• Minimal score value: -3.1466
• Maximal score value: 1.9901
• Average score: -0.7216
• Total score value: -74.3277

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	L	A	0.5777
2	Q	A	-1.1698
3	V	A	0.0000
4	D	A	-1.4321
5	I	A	0.0000
6	V	A	1.2348
7	P	A	0.2488
8	S	A	-0.6088
9	Q	A	-1.9179
10	G	A	0.0000
11	E	A	-2.8907
12	I	A	0.0000
13	S	A	-1.0962
14	V	A	-0.3362
15	G	A	-1.2315
16	E	A	-2.1370
17	S	A	-0.9744
18	K	A	-0.4225
19	F	A	1.9901
20	F	A	0.0000
21	L	A	0.9578
22	C	A	0.0000
23	Q	A	-1.4565
24	V	A	0.0000
25	A	A	-0.5588
26	G	A	-0.4809
27	S	A	-0.4780
28	L	A	-0.5028
29	S	A	-1.0233
30	G	A	-1.3003
31	I	A	-0.9347
32	R	A	-1.1686
33	I	A	0.0000
34	S	A	0.0000
35	W	A	0.0000
36	F	A	-1.2363
37	S	A	-1.2590
38	P	A	-1.2824
39	N	A	-2.0181
40	G	A	-2.1361
41	E	A	-2.9750
42	K	A	-2.2538
43	L	A	0.0000
44	T	A	-0.9585
45	P	A	-0.9280
46	N	A	-2.0625
47	Q	A	-2.2690
48	Q	A	-2.2731
49	R	A	-1.6774
50	I	A	-0.9007
51	S	A	-0.2546
52	V	A	0.0000
53	V	A	0.7999
54	W	A	-0.4803
55	N	A	-1.8070
56	D	A	-2.9841
57	D	A	-3.1466
58	S	A	-2.0771
59	S	A	0.0000
60	S	A	0.0000
61	T	A	0.7740
62	L	A	0.0000
63	T	A	0.8976
64	I	A	0.0000
65	Y	A	-0.6055
66	N	A	-1.9045
67	A	A	0.0000
68	N	A	-0.8880
69	I	A	-0.1242
70	D	A	-1.5965
71	D	A	0.0000
72	A	A	-0.9809
73	G	A	-0.5791
74	I	A	0.0986
75	Y	A	0.0000
76	K	A	-1.2246
77	C	A	0.0000
78	V	A	0.0000
79	V	A	0.0000
80	W	A	0.0146
81	R	A	-0.7743
82	T	A	-0.9892
83	G	A	-0.9061
84	G	A	-1.0166
85	Y	A	-0.4518
86	R	A	-2.3241
87	H	A	-2.2978
88	R	A	-2.0277
89	Y	A	0.0689
90	L	A	1.5292
91	V	A	1.2891
92	L	A	0.7869
93	G	A	-0.4439
94	E	A	-1.9326
95	A	A	-1.6887
96	T	A	-0.8002
97	V	A	0.0000
98	N	A	-1.7162
99	V	A	0.0000
100	K	A	-2.3929
101	I	A	0.0000
102	F	A	-0.3884
103	Q	A	-0.4413