Project name: query_structure

Chain sequence(s)	A: LQVDIVPSQGEISVGESKFFLCQVAGSGSDIRISWFSPNGEKLTPNQQRISVVWNDDSSSTLTIYNANIDDAGIYKCVVYRTGGYRHRALVLGEATVNVKIFQ
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                                          (00:00:58)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:58)

• Minimal score value: -3.4662
• Maximal score value: 1.965
• Average score: -0.8652
• Total score value: -89.1122

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	0.4119
2	Q	A	-1.1759
3	V	A	-1.3788
4	D	A	-1.5727
5	I	A	0.0000
6	V	A	0.8839
7	P	A	0.0892
8	S	A	-0.6551
9	Q	A	-1.7238
10	G	A	0.0000
11	E	A	-2.4994
12	I	A	0.0000
13	S	A	-0.9789
14	V	A	-0.2843
15	G	A	-1.3980
16	E	A	-2.3472
17	S	A	-1.1060
18	K	A	-0.4401
19	F	A	1.9650
20	F	A	0.0000
21	L	A	0.9399
22	C	A	0.0000
23	Q	A	-1.4100
24	V	A	0.0000
25	A	A	-0.5940
26	G	A	-0.5274
27	S	A	-0.8887
28	G	A	-1.3839
29	S	A	-1.7844
30	D	A	-2.8920
31	I	A	-1.9303
32	R	A	-1.8303
33	I	A	0.0000
34	S	A	0.0000
35	W	A	0.0000
36	F	A	-1.4256
37	S	A	-1.3917
38	P	A	-1.2783
39	N	A	-2.0971
40	G	A	-2.2568
41	E	A	-3.2430
42	K	A	-2.8145
43	L	A	-1.5723
44	T	A	-1.0413
45	P	A	-0.9453
46	N	A	-1.9169
47	Q	A	-1.9619
48	Q	A	-2.0639
49	R	A	-1.4721
50	I	A	0.0000
51	S	A	-0.2084
52	V	A	0.0000
53	V	A	0.7398
54	W	A	-0.6165
55	N	A	-1.9035
56	D	A	-3.0371
57	D	A	-3.4662
58	S	A	-2.1291
59	S	A	-1.6339
60	S	A	0.0000
61	T	A	0.7524
62	L	A	0.0000
63	T	A	0.8993
64	I	A	0.0000
65	Y	A	-0.6787
66	N	A	-2.0655
67	A	A	0.0000
68	N	A	-1.1327
69	I	A	0.1931
70	D	A	-1.3635
71	D	A	0.0000
72	A	A	-0.5641
73	G	A	-0.2349
74	I	A	0.3919
75	Y	A	0.0000
76	K	A	-1.1959
77	C	A	0.0000
78	V	A	0.0000
79	V	A	0.0000
80	Y	A	-0.5559
81	R	A	-1.6705
82	T	A	-1.9220
83	G	A	-1.8788
84	G	A	-1.4467
85	Y	A	-0.4158
86	R	A	-2.5088
87	H	A	-2.5803
88	R	A	-2.5723
89	A	A	-1.0202
90	L	A	0.8020
91	V	A	1.1655
92	L	A	0.6554
93	G	A	-0.4370
94	E	A	-1.8860
95	A	A	-1.6561
96	T	A	-0.7068
97	V	A	0.0000
98	N	A	-1.0273
99	V	A	0.0000
100	K	A	-1.5195
101	I	A	-0.6796
102	F	A	0.2309
103	Q	A	-0.2369