Project name: query_structure

Chain sequence(s)	A: QVQLVESGGGLVQAGGSLRLSCAASGFPVTSTSMFWYRQAPGKEREWVAAIDSKGAHTHYADSVKGRFTISRDNAKNTVYLQMNSLKPEDTAVYYCNVKDYGWWYGVYDYWGQGTQVTVS
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                                          (00:01:44)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:45)

• Minimal score value: -3.7035
• Maximal score value: 2.3592
• Average score: -0.6731
• Total score value: -80.7777

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	Q	A	-1.2872
2	V	A	-0.3935
3	Q	A	-0.4604
4	L	A	0.0000
5	V	A	1.1886
6	E	A	0.0000
7	S	A	-0.5913
8	G	A	-1.0617
9	G	A	-0.8515
10	G	A	-0.0484
11	L	A	1.0078
12	V	A	-0.0346
13	Q	A	-1.2659
14	A	A	-1.4801
15	G	A	-1.3891
16	G	A	-0.9158
17	S	A	-1.2523
18	L	A	-0.9393
19	R	A	-2.1519
20	L	A	0.0000
21	S	A	-0.3800
22	C	A	0.0000
23	A	A	-0.0224
24	A	A	0.0000
25	S	A	-0.4802
26	G	A	-0.8073
27	F	A	-0.3095
28	P	A	-0.7870
29	V	A	0.0000
30	T	A	-1.1762
31	S	A	-0.5888
32	T	A	0.0000
33	S	A	-0.5849
34	M	A	0.0000
35	F	A	0.1807
36	W	A	0.0000
37	Y	A	-0.4222
38	R	A	-1.3364
39	Q	A	-2.2023
40	A	A	-2.1025
41	P	A	-1.4841
42	G	A	-1.9989
43	K	A	-3.4289
44	E	A	-3.7035
45	R	A	-3.0672
46	E	A	-1.8632
47	W	A	-0.5512
48	V	A	0.0000
49	A	A	0.0000
50	A	A	0.0000
51	I	A	0.0000
52	D	A	-1.4572
53	S	A	-1.5244
54	K	A	-2.2893
55	G	A	-1.7355
56	A	A	-1.1873
57	H	A	-1.6783
58	T	A	-1.0523
59	H	A	-1.5826
60	Y	A	-1.3254
61	A	A	-1.5348
62	D	A	-2.5444
63	S	A	-1.7539
64	V	A	0.0000
65	K	A	-2.7749
66	G	A	-1.8070
67	R	A	-1.5492
68	F	A	0.0000
69	T	A	-0.9946
70	I	A	0.0000
71	S	A	-0.6867
72	R	A	-1.4623
73	D	A	-1.9837
74	N	A	-2.5588
75	A	A	-1.7503
76	K	A	-2.4734
77	N	A	-1.8332
78	T	A	0.0000
79	V	A	0.0000
80	Y	A	-0.6800
81	L	A	0.0000
82	Q	A	-1.2503
83	M	A	0.0000
84	N	A	-1.4986
85	S	A	-1.2925
86	L	A	0.0000
87	K	A	-2.5286
88	P	A	-2.0023
89	E	A	-2.4102
90	D	A	0.0000
91	T	A	-1.0189
92	A	A	0.0000
93	V	A	-0.7644
94	Y	A	0.0000
95	Y	A	-0.2083
96	C	A	0.0000
97	N	A	0.0000
98	V	A	0.0000
99	K	A	-0.0487
100	D	A	0.7410
101	Y	A	1.9713
102	G	A	1.8807
103	W	A	2.2851
104	W	A	2.3592
105	Y	A	2.0627
106	G	A	1.4479
107	V	A	2.1894
108	Y	A	1.0161
109	D	A	-0.7246
110	Y	A	-0.1273
111	W	A	0.0941
112	G	A	0.0871
113	Q	A	-0.8968
114	G	A	-0.5376
115	T	A	0.0000
116	Q	A	-1.2233
117	V	A	0.0000
118	T	A	-0.3429
119	V	A	0.0000
120	S	A	-0.7749