Project name: query_structure

Chain sequence(s)	A: QVQLQESGGGLVQAGGSLRLSCAASGYISDAYYMGWYRQAPGKEREFVATITHGTNTYYADSVKGRFTISRDNAKNTVYLQMNSLKPEDTAVYYCAALAWRDSYSDPWFYYWGQGTQVTVSSLE
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                                          (00:01:23)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:24)

• Minimal score value: -3.847
• Maximal score value: 2.136
• Average score: -0.7567
• Total score value: -93.8268

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	-1.1089
2	V	A	-0.1358
3	Q	A	-1.4744
4	L	A	0.0000
5	Q	A	-1.6700
6	E	A	0.0000
7	S	A	-1.0703
8	G	A	-1.0179
9	G	A	-0.8172
10	G	A	-0.0636
11	L	A	1.0731
12	V	A	0.2243
13	Q	A	-0.9448
14	A	A	-1.2404
15	G	A	-1.1535
16	G	A	-0.8896
17	S	A	-1.2150
18	L	A	-0.9010
19	R	A	-2.1279
20	L	A	0.0000
21	S	A	-0.8522
22	C	A	0.0000
23	A	A	-1.1468
24	A	A	-0.6390
25	S	A	-0.5830
26	G	A	0.0097
27	Y	A	0.4133
28	I	A	0.0000
29	S	A	-1.3351
30	D	A	-1.5695
31	A	A	0.0000
32	Y	A	0.2371
33	Y	A	0.4755
34	M	A	0.0000
35	G	A	0.0000
36	W	A	0.0000
37	Y	A	-0.6875
38	R	A	-1.6595
39	Q	A	-2.4611
40	A	A	-2.2373
41	P	A	-1.4585
42	G	A	-1.9798
43	K	A	-3.5583
44	E	A	-3.8470
45	R	A	-3.2835
46	E	A	-2.8681
47	F	A	-0.8289
48	V	A	0.0000
49	A	A	0.0000
50	T	A	0.4494
51	I	A	0.0000
52	T	A	0.0000
53	H	A	-1.5589
54	G	A	-1.1208
55	T	A	-1.0607
56	N	A	-1.2864
57	T	A	-0.1177
58	Y	A	0.6739
59	Y	A	-0.1795
60	A	A	-1.1626
61	D	A	-2.2738
62	S	A	-1.7729
63	V	A	0.0000
64	K	A	-2.4693
65	G	A	-1.7859
66	R	A	-1.5222
67	F	A	0.0000
68	T	A	-0.7166
69	I	A	0.0000
70	S	A	-0.6599
71	R	A	-1.2913
72	D	A	-1.9088
73	N	A	-2.3157
74	A	A	-1.5161
75	K	A	-2.2706
76	N	A	-1.5219
77	T	A	0.0000
78	V	A	0.0000
79	Y	A	-0.6519
80	L	A	0.0000
81	Q	A	-1.2323
82	M	A	0.0000
83	N	A	-1.4381
84	S	A	-1.2810
85	L	A	0.0000
86	K	A	-2.3845
87	P	A	-1.7524
88	E	A	-2.3989
89	D	A	0.0000
90	T	A	-0.9798
91	A	A	0.0000
92	V	A	-0.6886
93	Y	A	0.0000
94	Y	A	-0.6747
95	C	A	0.0000
96	A	A	0.0000
97	A	A	0.0000
98	L	A	1.2355
99	A	A	0.6571
100	W	A	-0.2899
101	R	A	-1.8418
102	D	A	-2.1471
103	S	A	-1.0984
104	Y	A	0.0976
105	S	A	-0.7720
106	D	A	-1.7349
107	P	A	-0.9595
108	W	A	0.2371
109	F	A	1.1853
110	Y	A	2.1360
111	Y	A	1.2057
112	W	A	0.5677
113	G	A	-0.6491
114	Q	A	-1.4586
115	G	A	-1.0349
116	T	A	0.0000
117	Q	A	-1.0917
118	V	A	0.0000
119	T	A	-0.2808
120	V	A	0.0000
121	S	A	-0.5741
122	S	A	-0.7813
123	L	A	0.0948
124	E	A	-1.2666