Project name: query_structure

Chain sequence(s)	A: VQLQESGGGLVQAGGSLRLSCAASGRTGSTYDMGWFRQAPGKERESVAAINWDSARTYYASSVRGRFTISRDNAKKTVYLQMNSLKPEDTAVYTCGAGEGGTWDSWGQGTQVTVSS
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                                          (00:01:10)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:10)

• Minimal score value: -4.1187
• Maximal score value: 1.3399
• Average score: -0.9826
• Total score value: -113.9826

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
2	V	A	1.3399
3	Q	A	0.0775
4	L	A	0.0000
5	Q	A	-0.7861
6	E	A	0.0000
7	S	A	-1.0751
8	G	A	-0.9148
9	G	A	-0.7511
10	G	A	0.0664
11	L	A	0.9439
12	V	A	0.0000
13	Q	A	-1.4016
14	A	A	-1.7063
15	G	A	-1.5477
16	G	A	-1.2007
17	S	A	-1.3173
18	L	A	-0.9112
19	R	A	-1.8017
20	L	A	0.0000
21	S	A	-0.7196
22	C	A	0.0000
23	A	A	-1.0449
24	A	A	0.0000
25	S	A	-1.2587
26	G	A	-1.4875
27	R	A	-2.1824
28	T	A	-1.7915
29	G	A	-1.2593
30	S	A	-1.2174
31	T	A	-0.9167
32	Y	A	-1.0871
33	D	A	-1.1629
34	M	A	0.0000
35	G	A	0.0000
36	W	A	0.0000
37	F	A	0.0000
38	R	A	0.0000
39	Q	A	-2.9060
40	A	A	-2.2765
41	P	A	-1.5804
42	G	A	-2.1109
43	K	A	-3.6762
44	E	A	-4.1187
45	R	A	-3.8765
46	E	A	-2.9846
47	S	A	-1.1496
48	V	A	0.0000
49	A	A	0.0000
50	A	A	-0.1607
51	I	A	0.0000
52	N	A	-1.5926
52A	W	A	0.0000
53	D	A	-2.6040
54	S	A	-1.8117
55	A	A	-1.7010
56	R	A	-2.1658
57	T	A	-0.6671
58	Y	A	0.0512
59	Y	A	-0.2472
60	A	A	-0.6429
61	S	A	-0.8938
62	S	A	-0.9392
63	V	A	0.0000
64	R	A	-2.1820
65	G	A	-1.6988
66	R	A	-1.5496
67	F	A	0.0000
68	T	A	-0.7646
69	I	A	0.0000
70	S	A	-0.8012
71	R	A	-1.7404
72	D	A	-2.2408
73	N	A	-2.8868
74	A	A	-1.9848
75	K	A	-2.9114
76	K	A	-2.8254
77	T	A	0.0000
78	V	A	0.0000
79	Y	A	-0.5799
80	L	A	0.0000
81	Q	A	-1.1196
82	M	A	0.0000
82A	N	A	-1.5332
82B	S	A	-1.4163
82C	L	A	0.0000
83	K	A	-2.8788
84	P	A	-2.1240
85	E	A	-2.4662
86	D	A	0.0000
87	T	A	-1.0210
88	A	A	0.0000
89	V	A	-0.4895
90	Y	A	0.0000
91	T	A	-0.8468
92	C	A	0.0000
93	G	A	0.0000
94	A	A	0.0000
95	G	A	0.0000
96	E	A	-1.4946
97	G	A	-1.0927
98	G	A	-1.1228
99	T	A	-1.0256
100	W	A	-0.9385
101	D	A	-1.7825
102	S	A	-0.4445
103	W	A	-0.1806
104	G	A	-0.4430
105	Q	A	-1.0623
106	G	A	-0.9613
107	T	A	-0.9630
108	Q	A	-0.9888
109	V	A	0.0000
110	T	A	-0.3966
111	V	A	0.0000
112	S	A	-0.9224
113	S	A	-0.9342