Project name: query_structure

Chain sequence(s)	A: QVQLVESGGGLVQAGGSLRLSCAASGFPVNAVTMWWYRQAPGKEREWVAAIKSQGAGTWYADSVKGRFTISRDNAKNTVYLQMNSLKPEDTAVYYCHVYVGAYRYEGRGTQVTVS
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]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:03:02)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:03)

• Minimal score value: -3.593
• Maximal score value: 1.054
• Average score: -0.8161
• Total score value: -93.8551

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	-1.5031
2	V	A	-1.2053
3	Q	A	-1.3999
4	L	A	0.0000
5	V	A	0.1467
6	E	A	0.0000
7	S	A	-0.7750
8	G	A	-1.2031
9	G	A	-0.8416
10	G	A	-0.0707
11	L	A	1.0540
12	V	A	0.0231
13	Q	A	-1.2081
14	A	A	-1.3752
15	G	A	-1.3051
16	G	A	-0.8685
17	S	A	-1.2002
18	L	A	-0.9220
19	R	A	-2.1390
20	L	A	0.0000
21	S	A	-0.5856
22	C	A	0.0000
23	A	A	-0.4138
24	A	A	0.0000
25	S	A	-0.8157
26	G	A	-1.0083
27	F	A	-0.3949
28	P	A	-0.8020
29	V	A	0.0000
30	N	A	-1.6248
31	A	A	-0.6206
32	V	A	-0.1353
33	T	A	-0.3535
34	M	A	0.0000
35	W	A	0.4851
36	W	A	0.0000
37	Y	A	-0.0243
38	R	A	0.0000
39	Q	A	-2.0299
40	A	A	-2.0738
41	P	A	-1.4671
42	G	A	-1.9907
43	K	A	-3.3722
44	E	A	-3.5930
45	R	A	-2.7721
46	E	A	-1.6568
47	W	A	-0.4114
48	V	A	0.0000
49	A	A	0.0000
50	A	A	0.0000
51	I	A	0.0000
52	K	A	-1.5571
53	S	A	-1.4781
54	Q	A	-2.0190
55	G	A	-1.5516
56	A	A	-0.9429
57	G	A	-0.6093
58	T	A	-0.0322
59	W	A	0.2139
60	Y	A	-0.4691
61	A	A	0.0000
62	D	A	-2.3402
63	S	A	-1.7902
64	V	A	0.0000
65	K	A	-2.5331
66	G	A	-1.8073
67	R	A	-1.5253
68	F	A	0.0000
69	T	A	-0.7844
70	I	A	0.0000
71	S	A	-1.0504
72	R	A	-2.5107
73	D	A	-2.4421
74	N	A	-2.7789
75	A	A	-1.8956
76	K	A	-2.6060
77	N	A	-2.1179
78	T	A	0.0000
79	V	A	0.0000
80	Y	A	-0.9575
81	L	A	0.0000
82	Q	A	-1.2421
83	M	A	0.0000
84	N	A	-1.4579
85	S	A	-1.2117
86	L	A	0.0000
87	K	A	-2.1951
88	P	A	-1.8538
89	E	A	-2.3025
90	D	A	0.0000
91	T	A	-0.9538
92	A	A	0.0000
93	V	A	-0.7300
94	Y	A	0.0000
95	Y	A	-0.5508
96	C	A	0.0000
97	H	A	0.0000
98	V	A	0.0000
99	Y	A	0.8147
100	V	A	0.8187
101	G	A	0.1904
102	A	A	0.4495
103	Y	A	0.8160
104	R	A	-0.8133
105	Y	A	-0.5556
106	E	A	-1.4766
107	G	A	-1.2165
108	R	A	-2.0494
109	G	A	0.0000
110	T	A	0.0000
111	Q	A	-1.2701
112	V	A	0.0000
113	T	A	-0.3087
114	V	A	0.0000
115	S	A	-0.7178