Project name: query_structure

Chain sequence(s)	A: QVQLVESGGGLVQAGGSLRLSCAASGFPVYEDSMFWYRQAPGKEREWVAAIYSYGNSTAYADSVKGRFTISRDNAKNTVYLQMNSLKPEDTAVYYCNVKDHGAFWWNYDYWGQGTQVTVS
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                                          (00:01:30)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:30)

• Minimal score value: -3.977
• Maximal score value: 2.2744
• Average score: -0.8044
• Total score value: -96.5272

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	-1.5184
2	V	A	-0.8816
3	Q	A	-0.9675
4	L	A	0.0000
5	V	A	1.0738
6	E	A	0.0000
7	S	A	-0.5979
8	G	A	-1.0701
9	G	A	-0.8410
10	G	A	-0.0534
11	L	A	1.0027
12	V	A	-0.0299
13	Q	A	-1.2524
14	A	A	-1.5096
15	G	A	-1.4407
16	G	A	-0.9917
17	S	A	-1.4232
18	L	A	-1.0807
19	R	A	-2.3480
20	L	A	0.0000
21	S	A	-0.4937
22	C	A	0.0000
23	A	A	-0.1191
24	A	A	0.0000
25	S	A	-0.7387
26	G	A	-1.0722
27	F	A	-0.5461
28	P	A	-0.8051
29	V	A	0.0000
30	Y	A	-0.1886
31	E	A	-0.8871
32	D	A	-0.9039
33	S	A	0.0000
34	M	A	0.0000
35	F	A	0.0000
36	W	A	0.0000
37	Y	A	-0.8876
38	R	A	-1.7460
39	Q	A	-2.5754
40	A	A	-2.2804
41	P	A	-1.4859
42	G	A	-1.9990
43	K	A	-3.5950
44	E	A	-3.9770
45	R	A	-3.5581
46	E	A	-3.0115
47	W	A	-1.2174
48	V	A	0.0000
49	A	A	0.0000
50	A	A	0.0000
51	I	A	0.0000
52	Y	A	-0.1180
53	S	A	-0.3138
54	Y	A	0.5904
55	G	A	-0.3656
56	N	A	-0.8686
57	S	A	-0.4879
58	T	A	-0.2486
59	A	A	-0.2665
60	Y	A	-0.7983
61	A	A	-1.4635
62	D	A	-2.4432
63	S	A	-1.8072
64	V	A	0.0000
65	K	A	-2.6337
66	G	A	-1.8664
67	R	A	-1.7561
68	F	A	0.0000
69	T	A	-1.0774
70	I	A	0.0000
71	S	A	-0.7044
72	R	A	-1.2199
73	D	A	-1.8986
74	N	A	-2.1524
75	A	A	-1.6624
76	K	A	-2.4637
77	N	A	-1.7834
78	T	A	-1.0779
79	V	A	0.0000
80	Y	A	0.0000
81	L	A	0.0000
82	Q	A	-1.6841
83	M	A	0.0000
84	N	A	-1.9750
85	S	A	-1.4402
86	L	A	0.0000
87	K	A	-2.5668
88	P	A	-1.9949
89	E	A	-2.4138
90	D	A	0.0000
91	T	A	-1.0261
92	A	A	0.0000
93	V	A	-0.7310
94	Y	A	0.0000
95	Y	A	-0.3628
96	C	A	0.0000
97	N	A	0.0000
98	V	A	0.0000
99	K	A	-1.7576
100	D	A	-1.8781
101	H	A	-1.8057
102	G	A	-0.8003
103	A	A	0.8371
104	F	A	2.2744
105	W	A	2.2007
106	W	A	0.9606
107	N	A	-0.9637
108	Y	A	-0.5701
109	D	A	-1.7518
110	Y	A	-0.7480
111	W	A	-0.1254
112	G	A	-0.0545
113	Q	A	-0.9224
114	G	A	0.0000
115	T	A	0.0000
116	Q	A	-1.2051
117	V	A	0.0000
118	T	A	-0.3389
119	V	A	0.0000
120	S	A	-0.7792