Project name: query_structure

Chain sequence(s)	A: VQLVESGGGLVQPGGSLRLSCAASGFTFSGYDMSWVRQAAGKGLEWVSAIHSGGGSTYYVDFLKGRFTISRDNAKNTLYLQMNSLKPEDTAVYFCATHLRLGDFGYWGQGTLVTVSS
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                                          (00:01:14)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:15)

• Minimal score value: -2.4952
• Maximal score value: 1.6528
• Average score: -0.4324
• Total score value: -50.5949

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	V	A	1.1410
2	Q	A	-0.1877
3	L	A	0.0000
4	V	A	0.4435
5	E	A	0.0000
6	S	A	-0.1915
7	G	A	-0.6225
8	G	A	0.1552
9	G	A	0.7177
10	L	A	1.4503
11	V	A	-0.0422
12	Q	A	-1.3207
13	P	A	-1.6130
14	G	A	-1.4424
15	G	A	-0.9762
16	S	A	-1.2695
17	L	A	-0.9108
18	R	A	-2.1011
19	L	A	0.0000
20	S	A	-0.4316
21	C	A	0.0000
22	A	A	-0.3190
23	A	A	0.0000
24	S	A	-0.2035
25	G	A	0.0055
26	F	A	0.1936
27	T	A	-0.0473
28	F	A	0.0000
29	S	A	-0.7577
30	G	A	-0.5363
31	Y	A	-0.5335
32	D	A	-1.0462
33	M	A	0.0000
34	S	A	0.0000
35	W	A	0.0000
36	V	A	0.0000
37	R	A	0.0000
38	Q	A	-0.2683
39	A	A	-0.8040
40	A	A	-0.8112
41	G	A	-1.2994
42	K	A	-2.0059
43	G	A	-0.8925
44	L	A	0.5216
45	E	A	0.0823
46	W	A	0.5689
47	V	A	0.0000
48	S	A	0.0000
49	A	A	0.0000
50	I	A	0.0000
51	H	A	-1.1783
52	S	A	-1.0923
53	G	A	-1.2331
54	G	A	-1.2586
55	G	A	-0.9710
56	S	A	-0.4991
57	T	A	0.2186
58	Y	A	0.8664
59	Y	A	0.2350
60	V	A	-0.0137
61	D	A	-1.1073
62	F	A	0.5145
63	L	A	0.0000
64	K	A	-1.7232
65	G	A	-1.4871
66	R	A	-1.1103
67	F	A	0.0000
68	T	A	-0.7355
69	I	A	0.0000
70	S	A	-0.4707
71	R	A	-1.0837
72	D	A	-1.5273
73	N	A	-1.7300
74	A	A	-1.3852
75	K	A	-2.2445
76	N	A	-1.6981
77	T	A	-1.0055
78	L	A	0.0000
79	Y	A	-0.5328
80	L	A	0.0000
81	Q	A	-1.1923
82	M	A	0.0000
83	N	A	-1.4635
84	S	A	-1.3120
85	L	A	0.0000
86	K	A	-2.4952
87	P	A	-1.9351
88	E	A	-2.3587
89	D	A	0.0000
90	T	A	-0.3799
91	A	A	0.0000
92	V	A	1.0344
93	Y	A	0.0000
94	F	A	0.5177
95	C	A	0.0000
96	A	A	0.0000
97	T	A	0.0000
98	H	A	-0.6512
99	L	A	-0.5701
100	R	A	-1.3782
101	L	A	0.0829
102	G	A	-0.9287
103	D	A	-1.4995
104	F	A	-0.3351
105	G	A	0.0411
106	Y	A	0.7970
107	W	A	0.6510
108	G	A	0.0042
109	Q	A	-0.7844
110	G	A	0.0747
111	T	A	0.6304
112	L	A	1.6528
113	V	A	0.0000
114	T	A	0.4081
115	V	A	0.0000
116	S	A	-0.6791
117	S	A	-0.9190