Project name: query_structure

Chain sequence(s)	A: LQVDIVPSQGEISVGESKFFLCQVAGSGSDIRISWESPNGKKLTPNQQRISVVWNDDSSSTLTIYNANIDDAGIYKCVVYRTGGYRHRALVLGEATVNVKIFQ
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                                          (00:00:55)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:55)

• Minimal score value: -3.3921
• Maximal score value: 1.861
• Average score: -0.8658
• Total score value: -89.1769

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	0.5861
2	Q	A	-1.0163
3	V	A	-1.1556
4	D	A	-1.3375
5	I	A	0.0000
6	V	A	0.5671
7	P	A	-0.2031
8	S	A	-0.8582
9	Q	A	-2.0825
10	G	A	0.0000
11	E	A	-2.9060
12	I	A	0.0000
13	S	A	-1.1024
14	V	A	-0.1506
15	G	A	-1.2367
16	E	A	-2.1305
17	S	A	-0.9714
18	K	A	-0.4358
19	F	A	1.8610
20	F	A	0.0000
21	L	A	0.7460
22	C	A	0.0000
23	Q	A	-1.3557
24	V	A	0.0000
25	A	A	-0.4888
26	G	A	-0.4190
27	S	A	-0.6983
28	G	A	-1.0829
29	S	A	-1.6755
30	D	A	-2.6040
31	I	A	-1.5161
32	R	A	-1.4971
33	I	A	0.0000
34	S	A	-0.7461
35	W	A	0.0000
36	E	A	-2.1115
37	S	A	-1.7316
38	P	A	-1.5047
39	N	A	-2.2051
40	G	A	-2.4153
41	K	A	-3.3909
42	K	A	-3.0886
43	L	A	0.0000
44	T	A	-1.1911
45	P	A	-0.9998
46	N	A	-2.0046
47	Q	A	-2.1344
48	Q	A	-2.1599
49	R	A	-1.5584
50	I	A	0.0000
51	S	A	-0.2584
52	V	A	0.0000
53	V	A	0.7213
54	W	A	-0.5827
55	N	A	-1.8647
56	D	A	-3.0112
57	D	A	-3.3921
58	S	A	-2.0443
59	S	A	-1.5783
60	S	A	0.0000
61	T	A	0.6672
62	L	A	0.0000
63	T	A	0.8606
64	I	A	0.0000
65	Y	A	-0.6108
66	N	A	-1.9147
67	A	A	0.0000
68	N	A	-1.1714
69	I	A	-0.1639
70	D	A	-1.6361
71	D	A	0.0000
72	A	A	-1.0303
73	G	A	-0.6089
74	I	A	-0.0669
75	Y	A	0.0000
76	K	A	-1.4189
77	C	A	0.0000
78	V	A	-0.6277
79	V	A	0.0000
80	Y	A	0.1161
81	R	A	-1.0312
82	T	A	-1.4823
83	G	A	-1.6923
84	G	A	-1.2296
85	Y	A	-0.4068
86	R	A	-2.4971
87	H	A	-2.5451
88	R	A	-2.4758
89	A	A	-0.7394
90	L	A	1.3068
91	V	A	1.8590
92	L	A	1.2226
93	G	A	-0.0674
94	E	A	-1.6153
95	A	A	-1.4951
96	T	A	-0.9524
97	V	A	0.0000
98	N	A	-1.7760
99	V	A	0.0000
100	K	A	-2.6022
101	I	A	0.0000
102	F	A	-0.4647
103	Q	A	-0.4707