Project name: query_structure

Chain sequence(s)	A: VSDVPRDLEVVAATPTSLLISWDVSNTPHGYYRITYGETGGNSPVQEFTVPGSKSTATISGLKPGVDYTITVYAVTTRPRIGLPISINYRT
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                                          (00:00:42)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:43)

• Minimal score value: -2.8298
• Maximal score value: 1.907
• Average score: -0.5158
• Total score value: -46.9414

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	1.5012
2	S	A	0.6785
3	D	A	0.4036
4	V	A	0.6545
5	P	A	0.0000
6	R	A	-2.0884
7	D	A	-2.8298
8	L	A	0.0000
9	E	A	-2.0097
10	V	A	0.0775
11	V	A	1.5361
12	A	A	0.8957
13	A	A	0.3002
14	T	A	-0.5318
15	P	A	-1.1369
16	T	A	-1.0062
17	S	A	-0.5349
18	L	A	0.0000
19	L	A	0.7430
20	I	A	0.0000
21	S	A	-0.8443
22	W	A	0.0000
23	D	A	-2.1033
24	V	A	-0.5909
25	S	A	0.0000
26	N	A	-1.0554
27	T	A	-0.4754
28	P	A	-0.4965
29	H	A	0.0000
30	G	A	-0.4738
31	Y	A	-0.0794
32	Y	A	0.0000
33	R	A	-0.5638
34	I	A	0.0000
35	T	A	-0.5383
36	Y	A	-0.2873
37	G	A	0.0000
38	E	A	-1.5628
39	T	A	-1.2858
40	G	A	-1.2608
41	G	A	-1.4015
42	N	A	-1.5350
43	S	A	-0.8080
44	P	A	-0.2832
45	V	A	0.4920
46	Q	A	-0.7640
47	E	A	-1.6263
48	F	A	-0.6969
49	T	A	-0.2660
50	V	A	0.0000
51	P	A	-0.6984
52	G	A	-0.5402
53	S	A	-0.8879
54	K	A	-1.6248
55	S	A	-0.8933
56	T	A	-0.5404
57	A	A	0.0000
58	T	A	0.2337
59	I	A	0.0000
60	S	A	-0.6586
61	G	A	-1.0315
62	L	A	0.0000
63	K	A	-2.3934
64	P	A	-1.6914
65	G	A	-1.4827
66	V	A	-1.5207
67	D	A	-2.2161
68	Y	A	0.0000
69	T	A	-0.8024
70	I	A	0.0000
71	T	A	-0.1736
72	V	A	0.0000
73	Y	A	0.8860
74	A	A	0.0000
75	V	A	0.2626
76	T	A	0.0000
77	T	A	-1.0446
78	R	A	-2.1704
79	P	A	-1.2855
80	R	A	-1.0503
81	I	A	1.3581
82	G	A	0.0000
83	L	A	1.9070
84	P	A	1.0697
85	I	A	0.3231
86	S	A	-0.3362
87	I	A	-0.7217
88	N	A	-1.7427
89	Y	A	-1.4949
90	R	A	-2.5816
91	T	A	-1.5442