Project name: query_structure

Chain sequence(s)	A: HVQLVESGGGSVQAGGSLRLSCAASGYSYCSYDMSWYRQAPGKEREFVATIDSYGDTSYADSVKGRFTISQDNAKNTLYLQMNSLKPEDTAMYYCATTPYGGWRYFGYWGQGTQVTVSS
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                                          (00:01:17)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:18)

• Minimal score value: -3.3543
• Maximal score value: 0.9915
• Average score: -0.7098
• Total score value: -84.4686

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	H	A	-1.2525
2	V	A	-0.6956
3	Q	A	-1.0700
4	L	A	0.0000
5	V	A	0.3355
6	E	A	0.0000
7	S	A	-0.7349
8	G	A	-1.2335
9	G	A	-1.2055
10	G	A	-0.9369
11	S	A	-0.7091
12	V	A	-0.7534
13	Q	A	-1.5976
14	A	A	-1.6310
15	G	A	-1.3391
16	G	A	-1.0706
17	S	A	-1.2199
18	L	A	-1.1608
19	R	A	-2.1522
20	L	A	0.0000
21	S	A	-0.4848
22	C	A	0.0000
23	A	A	-0.3247
24	A	A	0.0000
25	S	A	-0.7013
26	G	A	-0.9649
27	Y	A	-0.3325
28	S	A	-0.4519
29	Y	A	0.0000
30	C	A	0.2002
31	S	A	0.4244
32	Y	A	0.1656
33	D	A	-0.7739
34	M	A	0.0000
35	S	A	0.0000
36	W	A	0.0000
37	Y	A	-0.0599
38	R	A	0.0000
39	Q	A	-1.9415
40	A	A	-1.9771
41	P	A	-1.4349
42	G	A	-1.9636
43	K	A	-3.2818
44	E	A	-3.3543
45	R	A	-2.3497
46	E	A	-1.1966
47	F	A	-0.0348
48	V	A	0.0000
49	A	A	0.0000
50	T	A	-0.5773
51	I	A	0.0000
52	D	A	-1.0293
53	S	A	-0.1393
54	Y	A	0.3298
55	G	A	-0.9286
56	D	A	-1.9232
57	T	A	-1.1168
58	S	A	-0.9415
59	Y	A	-0.8727
60	A	A	-1.2475
61	D	A	-2.4276
62	S	A	-1.7686
63	V	A	0.0000
64	K	A	-2.6644
65	G	A	-1.7918
66	R	A	-1.4977
67	F	A	0.0000
68	T	A	-0.8845
69	I	A	0.0000
70	S	A	-0.7098
71	Q	A	-1.0621
72	D	A	-1.5578
73	N	A	-1.8989
74	A	A	-1.5110
75	K	A	-2.3332
76	N	A	-1.6344
77	T	A	-1.0481
78	L	A	0.0000
79	Y	A	-0.5849
80	L	A	0.0000
81	Q	A	-1.2550
82	M	A	0.0000
83	N	A	-1.4100
84	S	A	-1.2199
85	L	A	0.0000
86	K	A	-2.2965
87	P	A	-1.8341
88	E	A	-2.2940
89	D	A	0.0000
90	T	A	-1.1429
91	A	A	0.0000
92	M	A	-0.6481
93	Y	A	0.0000
94	Y	A	-0.1767
95	C	A	0.0000
96	A	A	0.0000
97	T	A	0.0000
98	T	A	0.3083
99	P	A	0.5364
100	Y	A	0.7929
101	G	A	-0.1499
102	G	A	-0.0752
103	W	A	0.4619
104	R	A	-0.6696
105	Y	A	0.8870
106	F	A	0.9915
107	G	A	0.6317
108	Y	A	0.8874
109	W	A	0.5041
110	G	A	-0.1551
111	Q	A	-0.9431
112	G	A	0.0000
113	T	A	-0.8291
114	Q	A	-1.3575
115	V	A	0.0000
116	T	A	-0.9513
117	V	A	0.0000
118	S	A	-1.1313
119	S	A	-0.8442