Project name: query_structure

Chain sequence(s)	A: QVQLVESGGGLVQAGGSLRLSCAASGFPVHTEYMEWYRQAPGKEREWVAAIESYGWWTYYADSVKGRFTISRDNAKNTVYLQMNSLKPEDTAVYYCNVKDFGAHAAEYDYWGQGTQVTVS
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                                          (00:02:04)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:05)

• Minimal score value: -3.6075
• Maximal score value: 1.8999
• Average score: -0.7255
• Total score value: -87.0599

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	-1.5016
2	V	A	-0.9232
3	Q	A	-1.2600
4	L	A	0.0000
5	V	A	0.3227
6	E	A	0.0000
7	S	A	-0.7317
8	G	A	-1.0333
9	G	A	-0.8192
10	G	A	-0.0723
11	L	A	1.0092
12	V	A	-0.0434
13	Q	A	-1.2744
14	A	A	-1.4740
15	G	A	-1.3728
16	G	A	-0.8948
17	S	A	-1.2773
18	L	A	-0.9951
19	R	A	-2.2618
20	L	A	0.0000
21	S	A	-0.5278
22	C	A	0.0000
23	A	A	-0.3898
24	A	A	0.0000
25	S	A	-1.0102
26	G	A	-1.0699
27	F	A	-0.6347
28	P	A	-0.8770
29	V	A	0.0000
30	H	A	-1.3423
31	T	A	0.0000
32	E	A	-1.2546
33	Y	A	-0.3743
34	M	A	0.0000
35	E	A	0.0000
36	W	A	0.0000
37	Y	A	-0.3634
38	R	A	0.0000
39	Q	A	-2.1460
40	A	A	-2.0809
41	P	A	-1.4457
42	G	A	-1.9762
43	K	A	-3.3993
44	E	A	-3.6075
45	R	A	-2.8345
46	E	A	-1.9925
47	W	A	-0.6521
48	V	A	0.0000
49	A	A	0.0000
50	A	A	0.0000
51	I	A	0.0000
52	E	A	0.0000
53	S	A	0.0000
54	Y	A	1.1695
55	G	A	0.9041
56	W	A	1.8999
57	W	A	1.7761
58	T	A	1.0735
59	Y	A	0.6819
60	Y	A	-0.4297
61	A	A	-1.1692
62	D	A	-2.3220
63	S	A	-1.7372
64	V	A	0.0000
65	K	A	-2.5115
66	G	A	-1.7765
67	R	A	-1.5491
68	F	A	0.0000
69	T	A	-0.8726
70	I	A	0.0000
71	S	A	-0.4438
72	R	A	-0.8796
73	D	A	-1.5871
74	N	A	-1.8512
75	A	A	-1.4948
76	K	A	-2.3183
77	N	A	-1.7520
78	T	A	-1.0303
79	V	A	0.0000
80	Y	A	-0.7418
81	L	A	0.0000
82	Q	A	-1.5737
83	M	A	0.0000
84	N	A	-1.4328
85	S	A	-1.2343
86	L	A	0.0000
87	K	A	-2.5347
88	P	A	-2.0112
89	E	A	-2.4160
90	D	A	0.0000
91	T	A	-1.0037
92	A	A	0.0000
93	V	A	-0.5914
94	Y	A	0.0000
95	Y	A	-0.2384
96	C	A	0.0000
97	N	A	0.0000
98	V	A	0.0000
99	K	A	-1.2401
100	D	A	-1.0112
101	F	A	-0.1658
102	G	A	-0.5207
103	A	A	-0.2901
104	H	A	-1.0683
105	A	A	-0.6092
106	A	A	-0.9571
107	E	A	-1.8426
108	Y	A	-0.7878
109	D	A	-1.6454
110	Y	A	-0.5950
111	W	A	-0.0954
112	G	A	-0.2358
113	Q	A	-1.1273
114	G	A	0.0000
115	T	A	0.0000
116	Q	A	-1.1697
117	V	A	0.0000
118	T	A	-0.3376
119	V	A	0.0000
120	S	A	-0.7812