Project name: query_structure

Chain sequence(s)	A: QVQLVESGGGLVQAGGSLRLSCAASGFPVTNSYMAWYRQAPGKEREWVAAISSWGRHTYYADSVKGRFTISRDNAKNTVYLQMNSLKPEDTAVYYCNVKDSGWEARWYDYWGQGTQVTVS
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                                          (00:01:52)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:53)

• Minimal score value: -3.3546
• Maximal score value: 1.0274
• Average score: -0.785
• Total score value: -94.2024

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	-1.4737
2	V	A	-0.8047
3	Q	A	-0.9337
4	L	A	0.0000
5	V	A	1.0274
6	E	A	0.0000
7	S	A	-0.5901
8	G	A	-1.0384
9	G	A	-0.8451
10	G	A	-0.1130
11	L	A	0.9237
12	V	A	0.0000
13	Q	A	-1.2687
14	A	A	-1.3510
15	G	A	-1.2827
16	G	A	-0.8773
17	S	A	-1.2195
18	L	A	-0.9496
19	R	A	-2.1371
20	L	A	0.0000
21	S	A	-0.3898
22	C	A	0.0000
23	A	A	-0.1067
24	A	A	0.0000
25	S	A	-0.7070
26	G	A	-1.0271
27	F	A	-0.6295
28	P	A	-0.8894
29	V	A	0.0000
30	T	A	-0.5085
31	N	A	-1.0718
32	S	A	0.0000
33	Y	A	-0.5190
34	M	A	0.0000
35	A	A	0.0000
36	W	A	0.0000
37	Y	A	-0.2489
38	R	A	0.0000
39	Q	A	-1.8509
40	A	A	-1.8327
41	P	A	-1.3095
42	G	A	-1.7948
43	K	A	-2.9456
44	E	A	-3.3546
45	R	A	-2.6624
46	E	A	-1.4433
47	W	A	-0.3178
48	V	A	0.0000
49	A	A	0.0000
50	A	A	0.0000
51	I	A	0.0000
52	S	A	-0.8775
53	S	A	-0.7558
54	W	A	-0.1504
55	G	A	-1.1689
56	R	A	-2.0910
57	H	A	-1.6487
58	T	A	-0.5812
59	Y	A	0.1697
60	Y	A	-0.4995
61	A	A	-1.1555
62	D	A	-2.3637
63	S	A	-1.7956
64	V	A	0.0000
65	K	A	-2.5525
66	G	A	-1.8224
67	R	A	-1.5210
68	F	A	0.0000
69	T	A	-0.7865
70	I	A	0.0000
71	S	A	-0.4782
72	R	A	-0.8847
73	D	A	-1.5361
74	N	A	-1.6901
75	A	A	-1.4424
76	K	A	-2.2666
77	N	A	-1.6441
78	T	A	0.0000
79	V	A	0.0000
80	Y	A	-0.6539
81	L	A	0.0000
82	Q	A	-1.2417
83	M	A	0.0000
84	N	A	-1.4459
85	S	A	-1.1700
86	L	A	0.0000
87	K	A	-2.0426
88	P	A	-1.7909
89	E	A	-2.2496
90	D	A	0.0000
91	T	A	-0.9054
92	A	A	0.0000
93	V	A	-0.5563
94	Y	A	0.0000
95	Y	A	-0.1075
96	C	A	0.0000
97	N	A	0.0000
98	V	A	0.0000
99	K	A	-1.2305
100	D	A	-1.5137
101	S	A	-0.9630
102	G	A	-0.9573
103	W	A	-0.1419
104	E	A	-1.7584
105	A	A	-1.2153
106	R	A	-1.8900
107	W	A	-0.4899
108	Y	A	-0.4809
109	D	A	-1.4844
110	Y	A	-0.5383
111	W	A	-0.0909
112	G	A	-0.0585
113	Q	A	-0.9216
114	G	A	0.0000
115	T	A	0.0000
116	Q	A	-1.1459
117	V	A	0.0000
118	T	A	-0.3229
119	V	A	0.0000
120	S	A	-0.7497