Project name: query_structure

Chain sequence(s)	A: QVQLQESGGGLVQAGGSLRLSCAASGYISDAYYMGWYRQAPGKEREFVATITHGTNTYYADSVKGRFTISRDNAKNTVYLQMNSLKPEDTAVYYCAVYTSWYSPYIYWGQGTQVTVSSLE
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                                          (00:01:44)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:45)

• Minimal score value: -3.3798
• Maximal score value: 2.1678
• Average score: -0.5883
• Total score value: -70.5917

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	-1.3532
2	V	A	-0.6364
3	Q	A	-1.7366
4	L	A	0.0000
5	Q	A	-1.7183
6	E	A	0.0000
7	S	A	-1.0694
8	G	A	-0.9724
9	G	A	-0.7930
10	G	A	-0.0497
11	L	A	1.0601
12	V	A	0.2208
13	Q	A	-1.2237
14	A	A	-1.3935
15	G	A	-1.3063
16	G	A	-0.8519
17	S	A	-1.1785
18	L	A	-1.0111
19	R	A	-2.1066
20	L	A	0.0000
21	S	A	-0.8429
22	C	A	0.0000
23	A	A	-1.1818
24	A	A	-0.8005
25	S	A	-1.0264
26	G	A	-0.2199
27	Y	A	0.4765
28	I	A	0.0000
29	S	A	-1.2678
30	D	A	-1.7187
31	A	A	0.0000
32	Y	A	0.0323
33	Y	A	0.1980
34	M	A	0.0000
35	G	A	0.0000
36	W	A	0.0000
37	Y	A	-0.1371
38	R	A	0.0000
39	Q	A	-2.0123
40	A	A	-1.9125
41	P	A	-1.3285
42	G	A	-1.7898
43	K	A	-2.9197
44	E	A	-3.3798
45	R	A	-2.7550
46	E	A	-1.3367
47	F	A	0.1316
48	V	A	0.0000
49	A	A	0.0000
50	T	A	0.3539
51	I	A	0.0000
52	T	A	0.0000
53	H	A	-1.7464
54	G	A	-1.1842
55	T	A	-1.1220
56	N	A	-1.3179
57	T	A	-0.1057
58	Y	A	0.8002
59	Y	A	0.0020
60	A	A	-0.8286
61	D	A	-2.2056
62	S	A	-1.7200
63	V	A	0.0000
64	K	A	-2.4110
65	G	A	-1.7390
66	R	A	-1.4124
67	F	A	0.0000
68	T	A	-0.6853
69	I	A	0.0000
70	S	A	-0.6043
71	R	A	-1.1612
72	D	A	-1.6040
73	N	A	-1.9037
74	A	A	-1.3997
75	K	A	-2.1076
76	N	A	-1.4089
77	T	A	-1.2707
78	V	A	0.0000
79	Y	A	-0.5953
80	L	A	0.0000
81	Q	A	-1.2172
82	M	A	0.0000
83	N	A	-1.3485
84	S	A	-1.1767
85	L	A	0.0000
86	K	A	-2.1821
87	P	A	-1.6355
88	E	A	-2.2842
89	D	A	0.0000
90	T	A	-0.8909
91	A	A	0.0000
92	V	A	-0.6567
93	Y	A	0.0000
94	Y	A	-0.4478
95	C	A	0.0000
96	A	A	0.0000
97	V	A	0.0000
98	Y	A	1.2355
99	T	A	0.7906
100	S	A	1.1406
101	W	A	2.0058
102	Y	A	1.8423
103	S	A	1.1152
104	P	A	1.4958
105	Y	A	2.1678
106	I	A	2.0474
107	Y	A	1.0694
108	W	A	0.4702
109	G	A	-0.7223
110	Q	A	-1.5595
111	G	A	-0.9984
112	T	A	0.0000
113	Q	A	-1.1673
114	V	A	0.0000
115	T	A	-0.2561
116	V	A	0.0000
117	S	A	-0.4473
118	S	A	-0.6302
119	L	A	0.3235
120	E	A	-1.3870