Project name: query_structure

Chain sequence(s)	A: QVQLVESGGGLVQAGGSLRLSCAASGFPVDYWEMHWYRQAPGKEREWVAAIYSKGEETKYADSVKGRFTISRDNAKNTVYLQMNSLKPEDTAVYYCNVKDWSGSELWWYDYWGQGTQVTVS
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                                          (00:01:53)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:54)

• Minimal score value: -3.7372
• Maximal score value: 1.8929
• Average score: -0.8143
• Total score value: -98.5348

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	-1.3985
2	V	A	-0.6366
3	Q	A	-0.6825
4	L	A	0.0000
5	V	A	0.9038
6	E	A	0.0000
7	S	A	-0.6526
8	G	A	-1.0666
9	G	A	-0.8424
10	G	A	-0.0788
11	L	A	0.9210
12	V	A	0.0000
13	Q	A	-1.2931
14	A	A	-1.4623
15	G	A	-1.4016
16	G	A	-0.9934
17	S	A	-1.4363
18	L	A	-1.1210
19	R	A	-2.3538
20	L	A	0.0000
21	S	A	-0.5251
22	C	A	0.0000
23	A	A	-0.1427
24	A	A	0.0000
25	S	A	-0.6271
26	G	A	-1.0100
27	F	A	0.0000
28	P	A	-0.4906
29	V	A	0.0000
30	D	A	-0.7103
31	Y	A	0.3506
32	W	A	-0.0000
33	E	A	0.0000
34	M	A	0.0000
35	H	A	0.0000
36	W	A	0.0000
37	Y	A	-0.7916
38	R	A	-1.6266
39	Q	A	-2.3603
40	A	A	-2.1806
41	P	A	-1.4200
42	G	A	-1.9393
43	K	A	-3.4891
44	E	A	-3.7372
45	R	A	-3.0561
46	E	A	-2.8796
47	W	A	-1.1849
48	V	A	0.0000
49	A	A	0.0000
50	A	A	0.0000
51	I	A	0.0000
52	Y	A	-1.2771
53	S	A	-1.2199
54	K	A	-2.3452
55	G	A	-2.4348
56	E	A	-3.1809
57	E	A	-2.9281
58	T	A	-1.6069
59	K	A	-1.6033
60	Y	A	-1.3287
61	A	A	-1.7251
62	D	A	-2.5678
63	S	A	-1.8153
64	V	A	0.0000
65	K	A	-2.7816
66	G	A	-1.8743
67	R	A	-1.7380
68	F	A	0.0000
69	T	A	-1.2041
70	I	A	0.0000
71	S	A	-0.6423
72	R	A	-1.2463
73	D	A	-1.8715
74	N	A	-1.9186
75	A	A	-1.5882
76	K	A	-2.3441
77	N	A	-1.8314
78	T	A	0.0000
79	V	A	0.0000
80	Y	A	0.0000
81	L	A	0.0000
82	Q	A	-1.6975
83	M	A	0.0000
84	N	A	-1.9557
85	S	A	-1.3766
86	L	A	0.0000
87	K	A	-2.3230
88	P	A	-1.9107
89	E	A	-2.3336
90	D	A	0.0000
91	T	A	-0.9886
92	A	A	0.0000
93	V	A	-0.5835
94	Y	A	0.0000
95	Y	A	-0.3263
96	C	A	0.0000
97	N	A	0.0000
98	V	A	0.0000
99	K	A	-0.5578
100	D	A	-0.4906
101	W	A	0.3468
102	S	A	-0.2013
103	G	A	-0.7512
104	S	A	-0.7437
105	E	A	-0.8752
106	L	A	1.4057
107	W	A	1.8929
108	W	A	1.6339
109	Y	A	1.1627
110	D	A	-0.1996
111	Y	A	0.0833
112	W	A	0.1379
113	G	A	-0.1588
114	Q	A	-0.9285
115	G	A	0.0000
116	T	A	0.0000
117	Q	A	-1.1725
118	V	A	0.0000
119	T	A	-0.3429
120	V	A	0.0000
121	S	A	-0.7917