Project name: query_structure

Chain sequence(s)	A: QVQLQESGGGLVQAGGSLRLSCAASGYISDAYYMGWYRQAPGKEREFVATITHGTNTYYADSVKGRFTISRDNAKNTVYLQMNSLKPEDTAVYYCAVPVLGYATAINYHWYWGQGTQVTVSSLE
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                                          (00:01:42)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:43)

• Minimal score value: -3.1787
• Maximal score value: 1.8129
• Average score: -0.5795
• Total score value: -71.861

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	-1.0879
2	V	A	0.0869
3	Q	A	-1.3469
4	L	A	0.0000
5	Q	A	-1.4833
6	E	A	0.0000
7	S	A	-1.1841
8	G	A	-1.0431
9	G	A	-0.8307
10	G	A	-0.0595
11	L	A	1.0601
12	V	A	0.2443
13	Q	A	-0.9509
14	A	A	-1.1299
15	G	A	-1.0655
16	G	A	-0.8346
17	S	A	-1.1739
18	L	A	-0.9084
19	R	A	-2.1363
20	L	A	0.0000
21	S	A	-0.8373
22	C	A	0.0000
23	A	A	-1.1507
24	A	A	-0.6280
25	S	A	-0.5934
26	G	A	-0.1950
27	Y	A	0.5588
28	I	A	0.0000
29	S	A	-1.3103
30	D	A	-1.4461
31	A	A	-0.1249
32	Y	A	0.2387
33	Y	A	0.2182
34	M	A	0.0000
35	G	A	0.0000
36	W	A	0.0000
37	Y	A	0.0177
38	R	A	0.0000
39	Q	A	-1.7774
40	A	A	-1.8393
41	P	A	-1.3094
42	G	A	-1.7935
43	K	A	-2.9325
44	E	A	-3.1787
45	R	A	-2.2615
46	E	A	-1.0812
47	F	A	0.2343
48	V	A	0.0000
49	A	A	0.0000
50	T	A	0.4851
51	I	A	0.0000
52	T	A	0.0000
53	H	A	-1.6831
54	G	A	-1.1534
55	T	A	-1.1002
56	N	A	-1.3000
57	T	A	-0.1025
58	Y	A	0.7641
59	Y	A	-0.1182
60	A	A	-0.8864
61	D	A	-2.2345
62	S	A	-1.7479
63	V	A	0.0000
64	K	A	-2.4661
65	G	A	-1.7923
66	R	A	-1.4939
67	F	A	0.0000
68	T	A	-0.7239
69	I	A	0.0000
70	S	A	-0.6621
71	R	A	-1.3021
72	D	A	-2.0165
73	N	A	-2.3746
74	A	A	-1.6544
75	K	A	-2.4296
76	N	A	-1.6392
77	T	A	-1.4212
78	V	A	0.0000
79	Y	A	-0.6626
80	L	A	0.0000
81	Q	A	-1.2415
82	M	A	0.0000
83	N	A	-1.3758
84	S	A	-1.1727
85	L	A	0.0000
86	K	A	-2.1429
87	P	A	-1.5793
88	E	A	-2.2637
89	D	A	0.0000
90	T	A	-0.8742
91	A	A	0.0000
92	V	A	-0.5918
93	Y	A	0.0000
94	Y	A	-0.3582
95	C	A	0.0000
96	A	A	0.0000
97	V	A	0.0000
98	P	A	0.0000
99	V	A	0.8929
100	L	A	1.3202
101	G	A	0.7980
102	Y	A	1.5192
103	A	A	0.8132
104	T	A	0.4815
105	A	A	0.8356
106	I	A	1.8129
107	N	A	0.1767
108	Y	A	0.8242
109	H	A	-0.0254
110	W	A	0.6806
111	Y	A	0.8177
112	W	A	0.3534
113	G	A	-0.5861
114	Q	A	-1.5134
115	G	A	-0.9617
116	T	A	0.0000
117	Q	A	-1.1822
118	V	A	0.0000
119	T	A	-0.2497
120	V	A	0.0000
121	S	A	-0.5295
122	S	A	-0.7264
123	L	A	0.2123
124	E	A	-1.2742