Project name: query_structure

Chain sequence(s)	A: QVQLQESGGGLVQAGDSLRLSCAASGNAFILYGMAWYRQPPGKAREFVAGITWSGGNPHYAASVKGRFTISRDNAKNTVYLQMDSLKSDDTAVYYCAANPSPRGSHNDYWGQGTQVTVSS
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                                          (00:01:09)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:09)

• Minimal score value: -2.759
• Maximal score value: 2.3005
• Average score: -0.7564
• Total score value: -90.7715

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	-1.4245
2	V	A	-1.0940
3	Q	A	-1.7154
4	L	A	0.0000
5	Q	A	-1.5965
6	E	A	0.0000
7	S	A	-1.0298
8	G	A	-0.9895
9	G	A	-0.8141
10	G	A	-0.0313
11	L	A	1.0548
12	V	A	-0.1721
13	Q	A	-1.5026
14	A	A	-1.8103
15	G	A	-1.7954
16	D	A	-1.8258
17	S	A	-1.6872
18	L	A	-1.2561
19	R	A	-2.1576
20	L	A	0.0000
21	S	A	-0.8352
22	C	A	0.0000
23	A	A	-1.1124
24	A	A	0.0000
25	S	A	-1.3597
26	G	A	-1.2944
27	N	A	-0.8756
28	A	A	0.1032
29	F	A	0.0000
30	I	A	1.7413
31	L	A	2.3005
32	Y	A	1.2391
33	G	A	0.5495
34	M	A	0.0000
35	A	A	0.1166
36	W	A	0.0000
37	Y	A	0.2278
38	R	A	0.0000
39	Q	A	-1.2833
40	P	A	0.0000
41	P	A	-1.3102
42	G	A	-1.5417
43	K	A	-2.3626
44	A	A	-1.5965
45	R	A	-1.4163
46	E	A	-0.9117
47	F	A	0.3954
48	V	A	0.0000
49	A	A	0.0000
50	G	A	-0.4231
51	I	A	0.0000
52	T	A	-0.0592
53	W	A	0.9989
54	S	A	0.1293
55	G	A	-0.5773
56	G	A	-1.0045
57	N	A	-1.6568
58	P	A	-1.2992
59	H	A	-1.4053
60	Y	A	-0.8722
61	A	A	-0.4816
62	A	A	-0.6228
63	S	A	-0.8020
64	V	A	0.0000
65	K	A	-2.1097
66	G	A	-1.5424
67	R	A	-1.5596
68	F	A	0.0000
69	T	A	-0.9980
70	I	A	0.0000
71	S	A	-0.5532
72	R	A	-0.9228
73	D	A	-1.6641
74	N	A	-1.7757
75	A	A	-1.3918
76	K	A	-2.3690
77	N	A	-1.6817
78	T	A	0.0000
79	V	A	0.0000
80	Y	A	-0.6254
81	L	A	0.0000
82	Q	A	-1.2643
83	M	A	0.0000
84	D	A	-1.8146
85	S	A	-1.6158
86	L	A	0.0000
87	K	A	-2.7590
88	S	A	-2.0176
89	D	A	-2.4248
90	D	A	0.0000
91	T	A	-0.9557
92	A	A	0.0000
93	V	A	-0.5599
94	Y	A	0.0000
95	Y	A	-0.3276
96	C	A	0.0000
97	A	A	0.0000
98	A	A	0.0000
99	N	A	-0.8480
100	P	A	-0.6362
101	S	A	-1.2685
102	P	A	-1.2730
103	R	A	-2.4045
104	G	A	-2.0660
105	S	A	-1.9397
106	H	A	-2.1283
107	N	A	-2.0360
108	D	A	-1.2706
109	Y	A	-0.4216
110	W	A	-0.1234
111	G	A	-0.8071
112	Q	A	-1.4065
113	G	A	-0.9449
114	T	A	0.0000
115	Q	A	-1.0473
116	V	A	0.0000
117	T	A	-0.3115
118	V	A	0.0000
119	S	A	-0.8556
120	S	A	-0.9007