Project name: query_structure

Chain sequence(s)	A: QVQLVESGGGLVQAGGSLRLSCAASGFPVWNNGMAWYRQAPGKEREWVAAIASRGRSTVYADSVKGRFTISRDNAKNTVYLQMNSLKPEDTAVYYCYVNVGSHYEGQGTQVTVS
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                                          (00:01:35)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:35)

• Minimal score value: -3.8325
• Maximal score value: 0.9263
• Average score: -0.9636
• Total score value: -109.8504

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	-1.2926
2	V	A	-0.7081
3	Q	A	-0.9640
4	L	A	0.0000
5	V	A	0.5923
6	E	A	0.0000
7	S	A	-0.6308
8	G	A	-1.0484
9	G	A	-0.8640
10	G	A	-0.0900
11	L	A	0.9263
12	V	A	0.0000
13	Q	A	-1.2953
14	A	A	-1.3931
15	G	A	-1.3030
16	G	A	-0.8720
17	S	A	-1.1945
18	L	A	-0.9402
19	R	A	-2.1454
20	L	A	0.0000
21	S	A	-0.5189
22	C	A	0.0000
23	A	A	-0.2307
24	A	A	0.0000
25	S	A	-0.5701
26	G	A	-0.8532
27	F	A	-0.3936
28	P	A	-0.8128
29	V	A	0.0000
30	W	A	-1.5418
31	N	A	-1.7825
32	N	A	-1.2529
33	G	A	-1.2422
34	M	A	0.0000
35	A	A	0.0000
36	W	A	0.0000
37	Y	A	-0.3526
38	R	A	0.0000
39	Q	A	-2.1901
40	A	A	-2.1542
41	P	A	-1.5290
42	G	A	-2.0532
43	K	A	-3.4833
44	E	A	-3.8325
45	R	A	-3.2900
46	E	A	-1.7855
47	W	A	-0.4977
48	V	A	0.0000
49	A	A	0.0000
50	A	A	0.4495
51	I	A	0.0000
52	A	A	-1.1926
53	S	A	-2.0555
54	R	A	-3.1345
55	G	A	-2.5670
56	R	A	-2.6243
57	S	A	-1.1951
58	T	A	0.0912
59	V	A	0.8897
60	Y	A	-0.2161
61	A	A	-1.0180
62	D	A	-2.2581
63	S	A	-1.7142
64	V	A	0.0000
65	K	A	-2.4323
66	G	A	-1.7630
67	R	A	-1.4280
68	F	A	0.0000
69	T	A	-0.6996
70	I	A	0.0000
71	S	A	-0.9770
72	R	A	-2.1863
73	D	A	-2.4438
74	N	A	-2.7723
75	A	A	-1.7494
76	K	A	-2.5854
77	N	A	-1.8682
78	T	A	0.0000
79	V	A	0.0000
80	Y	A	-0.9372
81	L	A	0.0000
82	Q	A	-1.2580
83	M	A	0.0000
84	N	A	-1.3354
85	S	A	-1.1369
86	L	A	0.0000
87	K	A	-2.1867
88	P	A	-1.8988
89	E	A	-2.3049
90	D	A	0.0000
91	T	A	-0.9802
92	A	A	0.0000
93	V	A	-0.7407
94	Y	A	0.0000
95	Y	A	-0.5594
96	C	A	0.0000
97	Y	A	-0.9581
98	V	A	0.0000
99	N	A	-1.7754
100	V	A	-0.6573
101	G	A	-0.8236
102	S	A	-1.1394
103	H	A	-1.7573
104	Y	A	-1.4035
105	E	A	-2.1243
106	G	A	-1.0591
107	Q	A	-1.4481
108	G	A	0.0000
109	T	A	0.0000
110	Q	A	-1.1925
111	V	A	0.0000
112	T	A	-0.3627
113	V	A	0.0000
114	S	A	-0.7710