Project name: query_structure

Chain sequence(s)	A: EVQLQASGGGLVEPGGSLRLSCAVSGINFNINHWGWYRQAPGKQREWVATIAIGGATDYADSLKGRFTISRDNMKNTVYLQMSSLRPEDTAVFYCNGVGSKWSDRWGQGTQVTVS
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                                          (00:00:58)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:59)

• Minimal score value: -3.1569
• Maximal score value: 0.7859
• Average score: -0.9157
• Total score value: -105.3074

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	E	A	-1.6460
2	V	A	-0.8644
3	Q	A	-1.3662
4	L	A	0.0000
5	Q	A	-1.4624
6	A	A	-1.0845
7	S	A	-1.1958
8	G	A	-1.0050
9	G	A	-0.8098
10	G	A	-0.0307
11	L	A	0.7859
12	V	A	0.0000
13	E	A	-2.1718
14	P	A	-2.1886
15	G	A	-1.7271
16	G	A	-1.2032
17	S	A	-1.4054
18	L	A	-0.9697
19	R	A	-2.2418
20	L	A	0.0000
21	S	A	-0.8568
22	C	A	0.0000
23	A	A	-0.8975
24	V	A	-0.7498
25	S	A	-0.6885
26	G	A	-0.3194
27	I	A	0.7375
28	N	A	-0.5721
29	F	A	-0.6575
30	N	A	-1.4359
31	I	A	0.0000
32	N	A	-0.5760
33	H	A	-0.5795
34	W	A	0.0000
35	G	A	0.0000
36	W	A	0.0000
37	Y	A	-0.4577
38	R	A	-1.3563
39	Q	A	-2.0770
40	A	A	-2.0115
41	P	A	-1.4968
42	G	A	-1.8116
43	K	A	-3.1469
44	Q	A	-3.0337
45	R	A	-2.5730
46	E	A	-2.4923
47	W	A	-0.9463
48	V	A	0.0000
49	A	A	0.0000
50	T	A	-0.6320
51	I	A	0.0000
52	A	A	-0.0148
53	I	A	0.5744
54	G	A	-0.1221
55	G	A	-0.5056
56	A	A	-0.3572
57	T	A	-0.7924
58	D	A	-1.9701
59	Y	A	-1.6810
60	A	A	-1.8237
61	D	A	-2.6321
62	S	A	-1.6786
63	L	A	0.0000
64	K	A	-2.8840
65	G	A	-1.7812
66	R	A	-1.4200
67	F	A	0.0000
68	T	A	-1.1943
69	I	A	0.0000
70	S	A	-0.6127
71	R	A	-0.8620
72	D	A	-1.2147
73	N	A	-1.6649
74	M	A	-0.6520
75	K	A	-1.8474
76	N	A	-1.8016
77	T	A	0.0000
78	V	A	0.0000
79	Y	A	-0.6821
80	L	A	0.0000
81	Q	A	-1.6257
82	M	A	0.0000
83	S	A	-1.2294
84	S	A	-1.3460
85	L	A	0.0000
86	R	A	-3.1569
87	P	A	-2.4006
88	E	A	-2.6142
89	D	A	0.0000
90	T	A	-1.0944
91	A	A	0.0000
92	V	A	-0.4597
93	F	A	0.0000
94	Y	A	-0.5394
95	C	A	0.0000
96	N	A	0.0000
97	G	A	0.0000
98	V	A	-0.9634
99	G	A	0.0000
100	S	A	-1.2293
101	K	A	-1.4253
102	W	A	-0.3048
103	S	A	-0.9527
104	D	A	-1.5965
105	R	A	-0.9747
106	W	A	-0.5669
107	G	A	0.0000
108	Q	A	-1.3963
109	G	A	-0.9512
110	T	A	-1.0720
111	Q	A	-1.0098
112	V	A	0.0000
113	T	A	-0.5247
114	V	A	0.0000
115	S	A	-1.0363