Project name: query_structure

Chain sequence(s)	A: VSDVPRDLEVVAATPTSLLISWDAPAVTVRYYRITYGETGGNSPVQEFTVPGSKSTATISGLKPGVDYTITVYAVTGRLLWNSLSKPISINYRT
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:13)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:14)

• Minimal score value: -3.4404
• Maximal score value: 1.9533
• Average score: -0.6656
• Total score value: -62.5645

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	1.6207
2	S	A	0.0612
3	D	A	-0.4351
4	V	A	-0.9631
5	P	A	0.0000
6	R	A	-3.2845
7	D	A	-3.4404
8	L	A	0.0000
9	E	A	-2.1396
10	V	A	0.0823
11	V	A	1.5228
12	A	A	0.8819
13	A	A	0.2903
14	T	A	-0.5431
15	P	A	-1.1444
16	T	A	-1.0037
17	S	A	-0.5399
18	L	A	0.0000
19	L	A	0.7173
20	I	A	0.0000
21	S	A	-1.1613
22	W	A	0.0000
23	D	A	-3.3012
24	A	A	-1.7047
25	P	A	0.0000
26	A	A	0.1161
27	V	A	0.0473
28	T	A	-0.6520
29	V	A	-1.1266
30	R	A	-2.0994
31	Y	A	-0.8238
32	Y	A	0.0000
33	R	A	-0.8940
34	I	A	0.0000
35	T	A	0.0000
36	Y	A	-0.4470
37	G	A	-0.7127
38	E	A	-1.5627
39	T	A	-1.2274
40	G	A	-1.2344
41	G	A	-1.3609
42	N	A	-1.5474
43	S	A	-0.9111
44	P	A	-0.4244
45	V	A	0.2490
46	Q	A	-1.2084
47	E	A	-1.8827
48	F	A	-0.8330
49	T	A	-0.3688
50	V	A	0.0000
51	P	A	-1.1227
52	G	A	-1.3158
53	S	A	-1.3440
54	K	A	-2.0270
55	S	A	-1.5636
56	T	A	-0.7872
57	A	A	0.0000
58	T	A	0.2270
59	I	A	0.0000
60	S	A	-0.6621
61	G	A	-1.0275
62	L	A	0.0000
63	K	A	-2.3544
64	P	A	-1.6462
65	G	A	-1.4203
66	V	A	-1.4008
67	D	A	-2.0423
68	Y	A	0.0000
69	T	A	-0.7316
70	I	A	0.0000
71	T	A	-0.3825
72	V	A	0.0000
73	Y	A	-0.1388
74	A	A	0.0000
75	V	A	0.0000
76	T	A	0.0000
77	G	A	-0.7852
78	R	A	-0.9115
79	L	A	1.4408
80	L	A	1.9533
81	W	A	1.1703
82	N	A	-0.7105
83	S	A	-0.4569
84	L	A	0.1793
85	S	A	0.0000
86	K	A	-1.5108
87	P	A	-0.8488
88	I	A	-0.6226
89	S	A	-0.5150
90	I	A	-0.7345
91	N	A	-1.7045
92	Y	A	-1.4099
93	R	A	-2.4862
94	T	A	-1.4832