Project name: query_structure

Chain sequence(s)	A: EVQLQASGGGLVEPGGSLRLSCAVSGINFNINHWGWYRQAPGKQREWVATIAIGGATDYADSLKGRFTISRDNMKNTVYLQMNSLRPEDTAVYYCNGVGSKWSVRWGQGTQVTVS
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                                          (00:01:06)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:07)

• Minimal score value: -3.209
• Maximal score value: 1.6188
• Average score: -0.7774
• Total score value: -89.4046

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	-1.6791
2	V	A	-0.9068
3	Q	A	-1.4299
4	L	A	0.0000
5	Q	A	-1.5225
6	A	A	0.0000
7	S	A	-1.1935
8	G	A	-1.0790
9	G	A	-0.7468
10	G	A	-0.0242
11	L	A	0.8382
12	V	A	0.0000
13	E	A	-2.1400
14	P	A	-2.2257
15	G	A	-1.8299
16	G	A	-1.3105
17	S	A	-1.4896
18	L	A	-1.0942
19	R	A	-2.0835
20	L	A	0.0000
21	S	A	-0.8005
22	C	A	0.0000
23	A	A	-0.9314
24	V	A	-0.7577
25	S	A	-0.8147
26	G	A	-0.3805
27	I	A	0.6830
28	N	A	-0.7895
29	F	A	-0.7964
30	N	A	-1.5886
31	I	A	0.0000
32	N	A	-0.9605
33	H	A	-0.3199
34	W	A	0.0000
35	G	A	0.0000
36	W	A	0.0000
37	Y	A	0.0959
38	R	A	0.0000
39	Q	A	-1.5779
40	A	A	-1.6838
41	P	A	-1.2114
42	G	A	-1.6973
43	K	A	-2.6923
44	Q	A	-2.6069
45	R	A	-1.9573
46	E	A	-1.0741
47	W	A	-0.1664
48	V	A	0.0000
49	A	A	0.0000
50	T	A	-0.5911
51	I	A	0.0000
52	A	A	-0.1452
53	I	A	0.3375
54	G	A	-0.2271
55	G	A	-0.4462
56	A	A	-0.3725
57	T	A	-0.8113
58	D	A	-2.0065
59	Y	A	-1.6701
60	A	A	-1.6049
61	D	A	-2.6269
62	S	A	-1.6713
63	L	A	0.0000
64	K	A	-2.8678
65	G	A	-1.8153
66	R	A	-1.4325
67	F	A	0.0000
68	T	A	-1.0691
69	I	A	0.0000
70	S	A	-0.5249
71	R	A	-0.8571
72	D	A	-1.2164
73	N	A	-1.6880
74	M	A	-0.6415
75	K	A	-1.9544
76	N	A	-1.8331
77	T	A	0.0000
78	V	A	0.0000
79	Y	A	-0.5445
80	L	A	0.0000
81	Q	A	-1.2110
82	M	A	0.0000
83	N	A	-1.5683
84	S	A	-1.5433
85	L	A	0.0000
86	R	A	-3.2090
87	P	A	-2.4058
88	E	A	-2.5901
89	D	A	0.0000
90	T	A	-1.0515
91	A	A	0.0000
92	V	A	-0.3165
93	Y	A	0.0000
94	Y	A	-0.3239
95	C	A	0.0000
96	N	A	0.0000
97	G	A	0.0000
98	V	A	0.2143
99	G	A	0.0000
100	S	A	-0.8882
101	K	A	-1.0154
102	W	A	0.5561
103	S	A	0.5004
104	V	A	1.6188
105	R	A	0.6829
106	W	A	0.1749
107	G	A	-0.9453
108	Q	A	-1.4258
109	G	A	-0.9018
110	T	A	-1.0000
111	Q	A	-0.9292
112	V	A	0.0000
113	T	A	-0.5016
114	V	A	0.0000
115	S	A	-1.0999