Project name: query_structure

Chain sequence(s)	A: QVQLVESGGGLVQAGGSLRLSCAASGFPVWTAYMEWYRQAPGKEREWVAAIESWGWWTYYADSVKGRFTISRDNAKNTVYLQMNSLKPEDTAVYYCAVEVGDHYYGQGTQVTVS
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                                          (00:01:16)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:17)

• Minimal score value: -3.7113
• Maximal score value: 1.8734
• Average score: -0.6852
• Total score value: -78.1124

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	-1.3711
2	V	A	-0.7119
3	Q	A	-1.0992
4	L	A	0.0000
5	V	A	0.5103
6	E	A	0.0000
7	S	A	-0.6974
8	G	A	-1.0173
9	G	A	-0.8306
10	G	A	-0.0715
11	L	A	1.0113
12	V	A	-0.0117
13	Q	A	-1.2101
14	A	A	-1.4188
15	G	A	-1.3429
16	G	A	-0.8859
17	S	A	-1.2197
18	L	A	-1.0321
19	R	A	-2.1366
20	L	A	0.0000
21	S	A	-0.4907
22	C	A	0.0000
23	A	A	-0.2902
24	A	A	0.0000
25	S	A	-0.6480
26	G	A	-0.9009
27	F	A	-0.1420
28	P	A	-0.4008
29	V	A	0.0000
30	W	A	0.4726
31	T	A	0.5108
32	A	A	0.0000
33	Y	A	0.0491
34	M	A	0.0000
35	E	A	-0.1366
36	W	A	0.0000
37	Y	A	-0.2317
38	R	A	0.0000
39	Q	A	-2.1684
40	A	A	-2.0967
41	P	A	-1.4732
42	G	A	-2.0045
43	K	A	-3.4301
44	E	A	-3.7113
45	R	A	-3.0308
46	E	A	-1.8578
47	W	A	-0.6255
48	V	A	0.0000
49	A	A	0.0000
50	A	A	0.0000
51	I	A	0.0000
52	E	A	0.6137
53	S	A	0.9177
54	W	A	1.5592
55	G	A	1.0257
56	W	A	1.8734
57	W	A	1.8723
58	T	A	0.9758
59	Y	A	0.4506
60	Y	A	-0.5481
61	A	A	-1.1809
62	D	A	-2.3313
63	S	A	-1.7359
64	V	A	0.0000
65	K	A	-2.5212
66	G	A	-1.7842
67	R	A	-1.4883
68	F	A	0.0000
69	T	A	-0.7800
70	I	A	0.0000
71	S	A	-0.5773
72	R	A	-1.0246
73	D	A	-1.8526
74	N	A	-1.9894
75	A	A	-1.6327
76	K	A	-2.4451
77	N	A	-1.6687
78	T	A	0.0000
79	V	A	0.0000
80	Y	A	-0.7009
81	L	A	0.0000
82	Q	A	-1.2389
83	M	A	0.0000
84	N	A	-1.4754
85	S	A	-1.2438
86	L	A	0.0000
87	K	A	-2.3356
88	P	A	-1.9519
89	E	A	-2.3558
90	D	A	0.0000
91	T	A	-0.9826
92	A	A	0.0000
93	V	A	-0.6729
94	Y	A	0.0000
95	Y	A	-0.2219
96	C	A	0.0000
97	A	A	0.0000
98	V	A	0.0000
99	E	A	-2.2129
100	V	A	-0.8725
101	G	A	-1.5754
102	D	A	-2.5021
103	H	A	-2.0253
104	Y	A	-0.8954
105	Y	A	-0.2969
106	G	A	-0.1960
107	Q	A	-1.0783
108	G	A	-0.5898
109	T	A	0.0000
110	Q	A	-1.1930
111	V	A	0.0000
112	T	A	-0.3272
113	V	A	0.0000
114	S	A	-0.7541