Project name: query_structure

Chain sequence(s)	A: QVQLVESGGGLVQAGGSLRLSCAASGFPVYSTWMRWYRQAPGKEREWVAAIESTGYTTWYADSVKGRFTISRDNAKNTVYLQMNSLKPEDTAVYYCNVKDYGWSWLAYDYWGQGTQVTVS
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                                          (00:01:14)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:15)

• Minimal score value: -3.5691
• Maximal score value: 2.1332
• Average score: -0.4647
• Total score value: -55.7615

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	-1.4929
2	V	A	-0.9754
3	Q	A	-0.9250
4	L	A	0.0000
5	V	A	1.1301
6	E	A	0.0000
7	S	A	-0.5610
8	G	A	-1.0381
9	G	A	-0.8364
10	G	A	-0.0696
11	L	A	1.0115
12	V	A	-0.0306
13	Q	A	-1.2649
14	A	A	-1.4861
15	G	A	-1.3941
16	G	A	-0.9103
17	S	A	-1.2384
18	L	A	-0.9255
19	R	A	-2.1323
20	L	A	0.0000
21	S	A	-0.3558
22	C	A	0.0000
23	A	A	-0.0654
24	A	A	0.0000
25	S	A	-0.6388
26	G	A	-1.0351
27	F	A	-0.3438
28	P	A	-0.2330
29	V	A	0.0000
30	Y	A	0.7104
31	S	A	0.3458
32	T	A	0.0000
33	W	A	0.1433
34	M	A	0.0000
35	R	A	-0.0505
36	W	A	0.0000
37	Y	A	-0.4675
38	R	A	-1.2517
39	Q	A	-2.1095
40	A	A	0.0000
41	P	A	-1.4638
42	G	A	-1.9704
43	K	A	-3.3726
44	E	A	-3.5691
45	R	A	-2.7902
46	E	A	-1.7677
47	W	A	-0.4850
48	V	A	0.0000
49	A	A	0.0000
50	A	A	0.0000
51	I	A	0.0000
52	E	A	0.1942
53	S	A	0.2932
54	T	A	0.2285
55	G	A	0.2395
56	Y	A	1.0789
57	T	A	0.7248
58	T	A	0.7561
59	W	A	0.7817
60	Y	A	-0.2879
61	A	A	0.0000
62	D	A	-2.2747
63	S	A	-1.7234
64	V	A	0.0000
65	K	A	-2.4685
66	G	A	-1.8071
67	R	A	-1.5532
68	F	A	0.0000
69	T	A	-0.7291
70	I	A	0.0000
71	S	A	-0.3841
72	R	A	-0.8408
73	D	A	-1.6137
74	N	A	-1.6168
75	A	A	-1.3759
76	K	A	-2.3428
77	N	A	-1.4350
78	T	A	0.0000
79	V	A	0.0000
80	Y	A	-0.6331
81	L	A	0.0000
82	Q	A	-1.2341
83	M	A	0.0000
84	N	A	-1.4982
85	S	A	-1.3016
86	L	A	0.0000
87	K	A	-2.5430
88	P	A	-2.0075
89	E	A	-2.4126
90	D	A	0.0000
91	T	A	-1.0261
92	A	A	0.0000
93	V	A	-0.6959
94	Y	A	0.0000
95	Y	A	-0.2057
96	C	A	0.0000
97	N	A	0.0000
98	V	A	0.0000
99	K	A	-0.3561
100	D	A	0.4663
101	Y	A	1.6982
102	G	A	1.4005
103	W	A	1.7364
104	S	A	1.5021
105	W	A	2.1332
106	L	A	1.7947
107	A	A	1.1507
108	Y	A	0.6155
109	D	A	-0.7272
110	Y	A	-0.3276
111	W	A	0.0383
112	G	A	0.0036
113	Q	A	-0.9332
114	G	A	0.0000
115	T	A	0.0000
116	Q	A	-1.2074
117	V	A	0.0000
118	T	A	-0.3440
119	V	A	0.0000
120	S	A	-0.7822