Project name: query_structure

Chain sequence(s)	A: QVQLVESGGGLVQAGGSLRLSCAASGFPVEHTGMHWYRQAPGKEREWVAAIYSSGFKTYYADSVKGRFTISRDNAKNTVYLQMNSLKPEDTAVYYCNVKDYGDWLYTYDYWGQGTQVTVS
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                                          (00:01:33)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:33)

• Minimal score value: -3.7026
• Maximal score value: 2.0192
• Average score: -0.6749
• Total score value: -80.9869

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	-1.2911
2	V	A	-0.3850
3	Q	A	-0.5542
4	L	A	0.0000
5	V	A	1.2813
6	E	A	0.0000
7	S	A	-0.5715
8	G	A	-1.0693
9	G	A	-0.8475
10	G	A	-0.0735
11	L	A	1.0137
12	V	A	-0.0044
13	Q	A	-1.2374
14	A	A	-1.4056
15	G	A	-1.3160
16	G	A	-0.8638
17	S	A	-1.2524
18	L	A	-0.9973
19	R	A	-2.3106
20	L	A	0.0000
21	S	A	-0.4609
22	C	A	0.0000
23	A	A	-0.0210
24	A	A	0.0000
25	S	A	-0.4824
26	G	A	-0.8212
27	F	A	-0.6016
28	P	A	-1.3346
29	V	A	0.0000
30	E	A	-2.3388
31	H	A	-1.8326
32	T	A	0.0000
33	G	A	0.0000
34	M	A	0.0000
35	H	A	0.0000
36	W	A	0.0000
37	Y	A	-0.4533
38	R	A	-1.3144
39	Q	A	-2.1864
40	A	A	-2.0943
41	P	A	-1.4790
42	G	A	-1.9954
43	K	A	-3.4267
44	E	A	-3.7026
45	R	A	-3.0752
46	E	A	-1.8649
47	W	A	-0.5189
48	V	A	0.0000
49	A	A	0.0000
50	A	A	0.0000
51	I	A	0.0000
52	Y	A	-0.0922
53	S	A	-0.6754
54	S	A	-0.5661
55	G	A	-0.2976
56	F	A	1.0910
57	K	A	-0.4634
58	T	A	0.0904
59	Y	A	0.1132
60	Y	A	-0.4850
61	A	A	-1.1530
62	D	A	-2.3482
63	S	A	-1.7543
64	V	A	0.0000
65	K	A	-2.5299
66	G	A	-1.7680
67	R	A	-1.5137
68	F	A	0.0000
69	T	A	-0.9073
70	I	A	0.0000
71	S	A	-0.3867
72	R	A	-1.2540
73	D	A	-1.9043
74	N	A	-2.3585
75	A	A	-1.6521
76	K	A	-2.2937
77	N	A	-1.9185
78	T	A	0.0000
79	V	A	0.0000
80	Y	A	0.0000
81	L	A	0.0000
82	Q	A	-1.6343
83	M	A	0.0000
84	N	A	-1.3847
85	S	A	-1.1580
86	L	A	0.0000
87	K	A	-2.2914
88	P	A	-1.9088
89	E	A	-2.3433
90	D	A	0.0000
91	T	A	-0.9771
92	A	A	0.0000
93	V	A	-0.7348
94	Y	A	0.0000
95	Y	A	-0.2159
96	C	A	0.0000
97	N	A	0.0000
98	V	A	0.0000
99	K	A	-1.0053
100	D	A	-0.3923
101	Y	A	0.6337
102	G	A	-0.3644
103	D	A	-0.9280
104	W	A	0.6406
105	L	A	2.0192
106	Y	A	1.9271
107	T	A	0.6973
108	Y	A	0.6407
109	D	A	-1.2388
110	Y	A	-0.4054
111	W	A	0.0106
112	G	A	0.0260
113	Q	A	-0.8915
114	G	A	-0.5022
115	T	A	0.0000
116	Q	A	-1.2247
117	V	A	0.0000
118	T	A	-0.3202
119	V	A	0.0000
120	S	A	-0.7449