Project name: query_structure

Chain sequence(s)	A: QVQLLESGGGLVQAGGSLRLSCAASGFPVYNTNMYWYRQAPGKEREWVAAINSNGEYTHYADSVKGRFTISRDNAKNTVYLQMNSLKPEDTAVYYCNVKDDGWTFWQYDYWGQGTQVTVS
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                                          (00:01:35)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:36)

• Minimal score value: -3.936
• Maximal score value: 2.2004
• Average score: -0.8632
• Total score value: -103.5889

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	-1.4896
2	V	A	-0.8883
3	Q	A	-0.8952
4	L	A	0.0000
5	L	A	0.8203
6	E	A	-0.1642
7	S	A	-0.7547
8	G	A	-1.1116
9	G	A	-0.8989
10	G	A	-0.0856
11	L	A	0.9236
12	V	A	0.0000
13	Q	A	-1.3549
14	A	A	-1.5311
15	G	A	-1.4254
16	G	A	-0.9742
17	S	A	-1.2878
18	L	A	-0.9776
19	R	A	-2.1524
20	L	A	0.0000
21	S	A	-0.4803
22	C	A	0.0000
23	A	A	-0.1718
24	A	A	0.0000
25	S	A	-0.7049
26	G	A	-1.0815
27	F	A	0.0000
28	P	A	-0.4575
29	V	A	0.0000
30	Y	A	0.1254
31	N	A	-0.4068
32	T	A	0.0000
33	N	A	-0.8447
34	M	A	0.0000
35	Y	A	0.0015
36	W	A	0.0000
37	Y	A	-0.8707
38	R	A	-1.7904
39	Q	A	-2.5610
40	A	A	-2.2750
41	P	A	-1.4683
42	G	A	-1.9786
43	K	A	-3.5797
44	E	A	-3.9360
45	R	A	-3.4739
46	E	A	-3.0740
47	W	A	-1.2192
48	V	A	0.0000
49	A	A	0.0000
50	A	A	0.0000
51	I	A	0.0000
52	N	A	-1.1394
53	S	A	-0.9256
54	N	A	-1.7125
55	G	A	-1.4978
56	E	A	-1.7288
57	Y	A	-0.2061
58	T	A	-0.3725
59	H	A	-1.0689
60	Y	A	-1.3370
61	A	A	-1.7275
62	D	A	-2.5704
63	S	A	-1.8116
64	V	A	0.0000
65	K	A	-2.7823
66	G	A	-1.8106
67	R	A	-1.5607
68	F	A	0.0000
69	T	A	-0.9885
70	I	A	0.0000
71	S	A	-0.7230
72	R	A	-1.0915
73	D	A	-1.5566
74	N	A	-1.7275
75	A	A	-1.3257
76	K	A	-2.3207
77	N	A	-1.4410
78	T	A	0.0000
79	V	A	0.0000
80	Y	A	-0.6835
81	L	A	0.0000
82	Q	A	-1.2437
83	M	A	0.0000
84	N	A	-1.5136
85	S	A	-1.3126
86	L	A	0.0000
87	K	A	-2.5626
88	P	A	-2.0205
89	E	A	-2.4158
90	D	A	0.0000
91	T	A	-1.0489
92	A	A	0.0000
93	V	A	-0.7220
94	Y	A	0.0000
95	Y	A	-0.4357
96	C	A	0.0000
97	N	A	0.0000
98	V	A	0.0000
99	K	A	-1.9256
100	D	A	-1.8332
101	D	A	-2.3706
102	G	A	-0.9497
103	W	A	0.3024
104	T	A	0.7797
105	F	A	2.2004
106	W	A	1.0860
107	Q	A	-1.0451
108	Y	A	-0.9934
109	D	A	-1.8368
110	Y	A	-0.7724
111	W	A	-0.0997
112	G	A	-0.1389
113	Q	A	-1.0216
114	G	A	-0.6488
115	T	A	0.0000
116	Q	A	-1.2387
117	V	A	0.0000
118	T	A	-0.3775
119	V	A	0.0000
120	S	A	-0.8253