Project name: query_structure

Chain sequence(s)	A: QVQLVESGGGLVQAGGSLRLSCAASGFPVNFQEMHWYRQAPGKEREWVAAIYSNGQHTKYADSVKGRFTISRDNAKNTVYLQMNSLKPEDTAVYYCNVKDYGDWFEWYDYWGQGTQVTVS
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                                          (00:02:22)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:22)

• Minimal score value: -3.4307
• Maximal score value: 1.3823
• Average score: -0.7826
• Total score value: -93.9153

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	-1.3566
2	V	A	-0.6814
3	Q	A	-1.1702
4	L	A	0.0000
5	V	A	0.3624
6	E	A	0.0000
7	S	A	-0.6032
8	G	A	-1.0378
9	G	A	-0.8069
10	G	A	-0.0965
11	L	A	0.9396
12	V	A	0.0000
13	Q	A	-1.2986
14	A	A	-1.3982
15	G	A	-1.3031
16	G	A	-0.8813
17	S	A	-1.2062
18	L	A	-0.9433
19	R	A	-2.1370
20	L	A	0.0000
21	S	A	-0.4979
22	C	A	0.0000
23	A	A	-0.3616
24	A	A	0.0000
25	S	A	-0.5872
26	G	A	-0.5951
27	F	A	0.3109
28	P	A	0.3905
29	V	A	0.6590
30	N	A	-0.8813
31	F	A	0.0000
32	Q	A	-0.9306
33	E	A	-1.1186
34	M	A	0.0000
35	H	A	0.0000
36	W	A	0.0000
37	Y	A	-0.2102
38	R	A	0.0000
39	Q	A	-1.9681
40	A	A	-1.8807
41	P	A	-1.3210
42	G	A	-1.8214
43	K	A	-2.9980
44	E	A	-3.4307
45	R	A	-2.7568
46	E	A	-1.5560
47	W	A	-0.4401
48	V	A	0.0000
49	A	A	0.0000
50	A	A	0.0000
51	I	A	0.0000
52	Y	A	-1.3985
53	S	A	-1.6833
54	N	A	-2.3997
55	G	A	-2.0293
56	Q	A	-2.2158
57	H	A	-2.2150
58	T	A	-1.5689
59	K	A	-2.0520
60	Y	A	-1.5941
61	A	A	-1.6281
62	D	A	-2.6238
63	S	A	-1.8012
64	V	A	0.0000
65	K	A	-2.8538
66	G	A	-1.7914
67	R	A	-1.4864
68	F	A	0.0000
69	T	A	-1.0507
70	I	A	0.0000
71	S	A	-0.6533
72	R	A	-1.3233
73	D	A	-1.6677
74	N	A	-1.7140
75	A	A	-1.1003
76	K	A	-1.9937
77	N	A	-1.1905
78	T	A	0.0000
79	V	A	0.0000
80	Y	A	-0.6596
81	L	A	0.0000
82	Q	A	-1.2587
83	M	A	0.0000
84	N	A	-1.3549
85	S	A	-1.1480
86	L	A	0.0000
87	K	A	-2.1997
88	P	A	-1.8772
89	E	A	-2.3102
90	D	A	0.0000
91	T	A	-0.9108
92	A	A	0.0000
93	V	A	-0.4068
94	Y	A	0.0000
95	Y	A	-0.1468
96	C	A	0.0000
97	N	A	0.0000
98	V	A	0.0000
99	K	A	-0.8940
100	D	A	0.0000
101	Y	A	-0.0283
102	G	A	-0.1732
103	D	A	-0.8883
104	W	A	0.8090
105	F	A	1.3823
106	E	A	-0.5803
107	W	A	-0.0932
108	Y	A	-0.1755
109	D	A	-0.8986
110	Y	A	-0.2565
111	W	A	-0.0256
112	G	A	-0.2639
113	Q	A	-1.0640
114	G	A	0.0000
115	T	A	-0.7055
116	Q	A	-1.0729
117	V	A	0.0000
118	T	A	-0.2940
119	V	A	0.0000
120	S	A	-0.7721