Project name: query_structure

Chain sequence(s)	A: QVQLVESGGGLVQAGGSLRLSSAASGFPVSSSTMTWYRQAPGKEREWVAAIWSYGWSTKYADSVKGRFTISRDNAKNTVYLQMNSLKPEDTAVYYSNVKDYGTFWEIYDYWGQGTQVTVS
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                                          (00:01:31)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:31)

• Minimal score value: -3.5781
• Maximal score value: 2.3768
• Average score: -0.6015
• Total score value: -72.177

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	-1.3945
2	V	A	-0.5325
3	Q	A	-1.0223
4	L	A	0.0000
5	V	A	0.7649
6	E	A	0.0000
7	S	A	-0.6404
8	G	A	-1.0163
9	G	A	-0.7815
10	G	A	-0.0010
11	L	A	1.0316
12	V	A	0.0155
13	Q	A	-1.2304
14	A	A	-1.4888
15	G	A	-1.4348
16	G	A	-0.9888
17	S	A	-1.3785
18	L	A	-0.9908
19	R	A	-2.1833
20	L	A	0.0000
21	S	A	-0.4577
22	S	A	0.0000
23	A	A	-0.2408
24	A	A	0.0000
25	S	A	-0.7767
26	G	A	-1.0332
27	F	A	0.0000
28	P	A	-0.9827
29	V	A	0.0000
30	S	A	-0.3044
31	S	A	0.0331
32	S	A	0.0000
33	T	A	0.0000
34	M	A	0.0000
35	T	A	0.0000
36	W	A	0.0000
37	Y	A	-0.3089
38	R	A	-1.1872
39	Q	A	-2.0776
40	A	A	-2.0332
41	P	A	-1.4359
42	G	A	-1.9803
43	K	A	-3.3857
44	E	A	-3.5781
45	R	A	-2.7698
46	E	A	-1.7654
47	W	A	-0.5737
48	V	A	0.0000
49	A	A	0.0000
50	A	A	0.0000
51	I	A	0.0000
52	W	A	0.5867
53	S	A	0.9042
54	Y	A	1.3990
55	G	A	0.7459
56	W	A	1.4933
57	S	A	0.2528
58	T	A	-0.6349
59	K	A	-2.0160
60	Y	A	-1.6955
61	A	A	-1.6895
62	D	A	-2.6160
63	S	A	-1.7273
64	V	A	0.0000
65	K	A	-2.8694
66	G	A	-1.8742
67	R	A	-1.7475
68	F	A	0.0000
69	T	A	-1.2519
70	I	A	0.0000
71	S	A	-0.6438
72	R	A	-1.1114
73	D	A	-2.0048
74	N	A	-2.2226
75	A	A	-1.7538
76	K	A	-2.4785
77	N	A	-1.9557
78	T	A	0.0000
79	V	A	0.0000
80	Y	A	0.0000
81	L	A	0.0000
82	Q	A	-1.5682
83	M	A	0.0000
84	N	A	-1.9515
85	S	A	-1.4360
86	L	A	0.0000
87	K	A	-2.4956
88	P	A	-1.9592
89	E	A	-2.3794
90	D	A	0.0000
91	T	A	-0.9648
92	A	A	0.0000
93	V	A	-0.5364
94	Y	A	0.0000
95	Y	A	-0.1622
96	S	A	0.0000
97	N	A	0.0000
98	V	A	0.0000
99	K	A	-0.7329
100	D	A	-0.0834
101	Y	A	1.2430
102	G	A	1.0250
103	T	A	1.1247
104	F	A	2.3768
105	W	A	2.1396
106	E	A	0.6799
107	I	A	0.9815
108	Y	A	0.7547
109	D	A	-0.7673
110	Y	A	-0.2175
111	W	A	0.0830
112	G	A	-0.1206
113	Q	A	-0.8488
114	G	A	-0.5084
115	T	A	-0.7442
116	Q	A	-1.0244
117	V	A	0.0000
118	T	A	-0.2821
119	V	A	0.0000
120	S	A	-0.7613