Project name: query_structure

Chain sequence(s)	A: QVQLVESGGGSVQAGGSLRLSCAASGKIYWITYLGWFRQAPGKEREGVAALNTKQGKTYYADSVKGRFTVSLDNAKNTVYLQMNSLKPEDTALYYCAAAYKVGNISPLWALHYGYWGQGTQVTV
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                                          (00:01:37)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:37)

• Minimal score value: -3.821
• Maximal score value: 1.0199
• Average score: -0.816
• Total score value: -101.1811

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	-1.3858
2	V	A	-0.9900
3	Q	A	-1.1959
4	L	A	0.0000
5	V	A	0.4826
6	E	A	0.0000
7	S	A	-0.7376
8	G	A	-1.2626
9	G	A	-1.2165
10	G	A	-0.8789
11	S	A	-0.5612
12	V	A	-0.5382
13	Q	A	-1.3398
14	A	A	-1.4327
15	G	A	-1.3189
16	G	A	-1.0491
17	S	A	-1.3840
18	L	A	-1.2689
19	R	A	-2.3706
20	L	A	0.0000
21	S	A	-0.4966
22	C	A	0.0000
23	A	A	-0.3448
24	A	A	0.0000
25	S	A	-1.0715
26	G	A	-0.8949
27	K	A	-0.7243
28	I	A	0.0000
29	Y	A	1.0108
30	W	A	1.0199
31	I	A	0.0000
32	T	A	0.0000
33	Y	A	0.0000
34	L	A	0.0000
35	G	A	0.0000
36	W	A	0.0000
37	F	A	0.0000
38	R	A	-1.5391
39	Q	A	-2.3641
40	A	A	-2.1454
41	P	A	-1.5038
42	G	A	-2.0283
43	K	A	-3.4770
44	E	A	-3.8210
45	R	A	-3.2941
46	E	A	-2.0615
47	G	A	0.0000
48	V	A	0.0000
49	A	A	0.0000
50	A	A	0.0000
51	L	A	0.0000
52	N	A	-1.5432
53	T	A	-1.3134
54	K	A	-2.3316
55	Q	A	-2.7144
56	G	A	-2.1755
57	K	A	-2.2001
58	T	A	-0.7930
59	Y	A	-0.3353
60	Y	A	-0.7223
61	A	A	0.0000
62	D	A	-2.4033
63	S	A	-1.7865
64	V	A	0.0000
65	K	A	-2.5797
66	G	A	-1.8708
67	R	A	-1.7550
68	F	A	0.0000
69	T	A	-1.0452
70	V	A	0.0000
71	S	A	-0.4738
72	L	A	-0.5060
73	D	A	-1.4262
74	N	A	-1.7514
75	A	A	-1.4630
76	K	A	-2.2238
77	N	A	-1.5841
78	T	A	0.0000
79	V	A	0.0000
80	Y	A	0.0000
81	L	A	0.0000
82	Q	A	-1.6999
83	M	A	0.0000
84	N	A	-2.0324
85	S	A	-1.4312
86	L	A	0.0000
87	K	A	-2.2801
88	P	A	-1.7565
89	E	A	-2.2820
90	D	A	0.0000
91	T	A	-1.0628
92	A	A	0.0000
93	L	A	-0.7237
94	Y	A	0.0000
95	Y	A	-0.4137
96	C	A	0.0000
97	A	A	0.0000
98	A	A	0.0000
99	A	A	0.0000
100	Y	A	-0.1550
101	K	A	-1.5902
102	V	A	-0.9998
103	G	A	-1.0725
104	N	A	-1.2272
105	I	A	0.1214
106	S	A	-0.0869
107	P	A	-0.0028
108	L	A	0.2099
109	W	A	0.3046
110	A	A	0.0948
111	L	A	0.0000
112	H	A	-0.9646
113	Y	A	0.0000
114	G	A	-0.3327
115	Y	A	0.0123
116	W	A	0.2208
117	G	A	-0.2113
118	Q	A	-1.0044
119	G	A	-0.6708
120	T	A	0.0000
121	Q	A	-1.3271
122	V	A	0.0000
123	T	A	-0.7685
124	V	A	-0.8674