Project name: query_structure

Chain sequence(s)	A: QVQLQESGGGLVQAGGSLRLSCAASGYISDAYYMGWYRQAPGKEREFVATITHGTNTYYADSVKGRFTISRDNAKNTVYLQMNSLKPEDTAVYYCAVFELRGFLWDWYYTYWGQGTQVTVSSLE
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                                          (00:01:58)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:58)

• Minimal score value: -3.9611
• Maximal score value: 2.1932
• Average score: -0.7248
• Total score value: -89.8794

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	-1.2657
2	V	A	-0.7228
3	Q	A	-1.7693
4	L	A	0.0000
5	Q	A	-1.7286
6	E	A	0.0000
7	S	A	-1.0634
8	G	A	-0.9779
9	G	A	-0.8044
10	G	A	-0.0506
11	L	A	1.0704
12	V	A	0.2462
13	Q	A	-1.1982
14	A	A	-1.3877
15	G	A	-1.2990
16	G	A	-0.8581
17	S	A	-1.2203
18	L	A	-1.0379
19	R	A	-2.1172
20	L	A	0.0000
21	S	A	-0.8382
22	C	A	0.0000
23	A	A	-1.1796
24	A	A	-0.7527
25	S	A	-0.9807
26	G	A	-0.1725
27	Y	A	0.5607
28	I	A	0.1341
29	S	A	-0.8137
30	D	A	-1.9426
31	A	A	-1.1632
32	Y	A	-0.7585
33	Y	A	-0.2494
34	M	A	0.0000
35	G	A	0.0000
36	W	A	0.0000
37	Y	A	0.0000
38	R	A	-1.8512
39	Q	A	-2.6153
40	A	A	-2.2911
41	P	A	-1.4775
42	G	A	-1.9920
43	K	A	-3.5953
44	E	A	-3.9611
45	R	A	-3.5142
46	E	A	-3.0959
47	F	A	-1.1332
48	V	A	0.0000
49	A	A	0.0000
50	T	A	0.0000
51	I	A	0.0000
52	T	A	0.0000
53	H	A	-1.6567
54	G	A	-1.4134
55	T	A	-1.0117
56	N	A	-1.2926
57	T	A	-0.1978
58	Y	A	0.5037
59	Y	A	-0.2644
60	A	A	-1.2484
61	D	A	-2.3002
62	S	A	-1.7903
63	V	A	0.0000
64	K	A	-2.4962
65	G	A	-1.7950
66	R	A	-1.5105
67	F	A	0.0000
68	T	A	-0.7354
69	I	A	0.0000
70	S	A	-0.6010
71	R	A	-1.0868
72	D	A	-1.5435
73	N	A	-1.9009
74	A	A	-1.3820
75	K	A	-2.1038
76	N	A	-1.3970
77	T	A	-1.2311
78	V	A	0.0000
79	Y	A	-0.5447
80	L	A	0.0000
81	Q	A	-1.2213
82	M	A	0.0000
83	N	A	-1.4064
84	S	A	-1.1951
85	L	A	0.0000
86	K	A	-2.1821
87	P	A	-1.6114
88	E	A	-2.2528
89	D	A	0.0000
90	T	A	-0.9207
91	A	A	0.0000
92	V	A	-0.7465
93	Y	A	0.0000
94	Y	A	-0.8058
95	C	A	0.0000
96	A	A	0.0000
97	V	A	0.0000
98	F	A	0.0000
99	E	A	-0.5551
100	L	A	-0.0747
101	R	A	-1.3100
102	G	A	0.1216
103	F	A	2.1932
104	L	A	2.0966
105	W	A	1.3591
106	D	A	-0.3753
107	W	A	0.4331
108	Y	A	1.0207
109	Y	A	1.5660
110	T	A	1.0765
111	Y	A	0.6459
112	W	A	0.1241
113	G	A	-0.8988
114	Q	A	-1.6127
115	G	A	-1.0878
116	T	A	0.0000
117	Q	A	-1.2098
118	V	A	0.0000
119	T	A	-0.2484
120	V	A	0.0000
121	S	A	-0.4261
122	S	A	-0.4420
123	L	A	0.3232
124	E	A	-1.3893