Project name: query_structure

Chain sequence(s)	A: QVQLVESGGGSVQAGGSLRLSCAASGDISDISYLGWFRQAPGKEREGVAALWTWIGWTYYADSVKGRFTVSLDNAKNTVYLQMNSLKPEDTALYYCAAAYEGYHRPLWDWVYTYWGQGTQVTV
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                                          (00:01:06)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:07)

• Minimal score value: -3.7444
• Maximal score value: 2.4034
• Average score: -0.6913
• Total score value: -85.0267

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	-1.3684
2	V	A	-0.9350
3	Q	A	-1.1514
4	L	A	0.0000
5	V	A	0.5282
6	E	A	0.0000
7	S	A	-0.7114
8	G	A	-1.2090
9	G	A	-1.1664
10	G	A	-0.8732
11	S	A	-0.5870
12	V	A	-0.5622
13	Q	A	-1.3360
14	A	A	-1.3775
15	G	A	-1.2617
16	G	A	-1.0168
17	S	A	-1.3002
18	L	A	-1.1700
19	R	A	-2.1955
20	L	A	0.0000
21	S	A	-0.4460
22	C	A	0.0000
23	A	A	-0.5203
24	A	A	0.0000
25	S	A	-1.0061
26	G	A	-1.7881
27	D	A	-2.8848
28	I	A	0.0000
29	S	A	-1.7828
30	D	A	-2.5731
31	I	A	0.0000
32	S	A	-0.3616
33	Y	A	0.0000
34	L	A	0.0000
35	G	A	0.0000
36	W	A	0.0000
37	F	A	-0.5514
38	R	A	-1.3803
39	Q	A	-2.2161
40	A	A	-2.0572
41	P	A	-1.4681
42	G	A	-2.0065
43	K	A	-3.4435
44	E	A	-3.7444
45	R	A	-3.1481
46	E	A	-2.0666
47	G	A	-0.7988
48	V	A	0.0000
49	A	A	0.0000
50	A	A	0.0000
51	L	A	0.0000
52	W	A	1.1604
53	T	A	0.7506
54	W	A	1.6458
55	I	A	2.4034
56	G	A	1.1389
57	W	A	1.0776
58	T	A	0.5486
59	Y	A	0.0809
60	Y	A	-0.7173
61	A	A	0.0000
62	D	A	-2.3919
63	S	A	-1.7904
64	V	A	0.0000
65	K	A	-2.5483
66	G	A	-1.8301
67	R	A	-1.6439
68	F	A	0.0000
69	T	A	-0.9497
70	V	A	0.0000
71	S	A	-0.2945
72	L	A	-0.4895
73	D	A	-1.5425
74	N	A	-2.3476
75	A	A	-1.7985
76	K	A	-2.4897
77	N	A	-2.0990
78	T	A	0.0000
79	V	A	0.0000
80	Y	A	0.0000
81	L	A	0.0000
82	Q	A	-1.5280
83	M	A	0.0000
84	N	A	-1.8810
85	S	A	-1.3350
86	L	A	0.0000
87	K	A	-2.0614
88	P	A	-1.6695
89	E	A	-2.2135
90	D	A	0.0000
91	T	A	-1.0110
92	A	A	0.0000
93	L	A	-0.6267
94	Y	A	0.0000
95	Y	A	0.0000
96	C	A	0.0000
97	A	A	0.0000
98	A	A	0.0000
99	A	A	0.1339
100	Y	A	-0.7138
101	E	A	-1.9138
102	G	A	-1.0791
103	Y	A	-0.1335
104	H	A	-1.4628
105	R	A	-1.7714
106	P	A	-0.4951
107	L	A	1.0141
108	W	A	0.9119
109	D	A	-0.8899
110	W	A	0.1929
111	V	A	0.8735
112	Y	A	0.8937
113	T	A	0.8585
114	Y	A	0.4468
115	W	A	0.4721
116	G	A	-0.1306
117	Q	A	-0.9485
118	G	A	0.0000
119	T	A	0.0000
120	Q	A	-1.3039
121	V	A	0.0000
122	T	A	-0.7557
123	V	A	-0.8359