Project name: query_structure

Chain sequence(s)	A: VSDVPRDLEVVAATPTSLLISWDAPAVTVRYYRITYGETGGNSPVQEFTVPGSKSTATISGLKPGVDYTITVYAVTGALVEMLRSKPISINYRT
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                                          (00:00:38)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:39)

• Minimal score value: -3.3903
• Maximal score value: 2.0326
• Average score: -0.6558
• Total score value: -61.644

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	1.6185
2	S	A	0.0571
3	D	A	-0.7596
4	V	A	-1.1655
5	P	A	0.0000
6	R	A	-3.1513
7	D	A	-3.3903
8	L	A	0.0000
9	E	A	-2.1051
10	V	A	0.1132
11	V	A	1.5504
12	A	A	0.9049
13	A	A	0.3207
14	T	A	-0.3403
15	P	A	-1.1207
16	T	A	-0.9995
17	S	A	-0.5306
18	L	A	0.0000
19	L	A	0.7602
20	I	A	0.0000
21	S	A	-1.1335
22	W	A	0.0000
23	D	A	-3.2179
24	A	A	-1.6871
25	P	A	0.0000
26	A	A	0.2972
27	V	A	0.3405
28	T	A	-0.3584
29	V	A	-1.0107
30	R	A	-1.7552
31	Y	A	-1.0762
32	Y	A	0.0000
33	R	A	-0.9818
34	I	A	0.0000
35	T	A	-0.5849
36	Y	A	-0.3134
37	G	A	0.0000
38	E	A	-1.5795
39	T	A	-1.2645
40	G	A	-1.2508
41	G	A	-1.4420
42	N	A	-1.5627
43	S	A	-0.8880
44	P	A	-0.3382
45	V	A	0.4162
46	Q	A	-0.8956
47	E	A	-1.7033
48	F	A	-0.7366
49	T	A	-0.3566
50	V	A	0.0000
51	P	A	-1.1882
52	G	A	-1.4099
53	S	A	-1.3782
54	K	A	-2.1967
55	S	A	-1.3887
56	T	A	-0.7637
57	A	A	0.0000
58	T	A	0.2411
59	I	A	0.0000
60	S	A	-0.6597
61	G	A	-1.0288
62	L	A	0.0000
63	K	A	-2.3736
64	P	A	-1.6626
65	G	A	-1.4527
66	V	A	-1.4200
67	D	A	-2.1109
68	Y	A	0.0000
69	T	A	-0.7806
70	I	A	0.0000
71	T	A	-0.2051
72	V	A	0.0000
73	Y	A	-0.8696
74	A	A	0.0000
75	V	A	0.0000
76	T	A	-0.5089
77	G	A	0.1720
78	A	A	0.8992
79	L	A	2.0326
80	V	A	1.9196
81	E	A	-0.0673
82	M	A	0.5352
83	L	A	0.1116
84	R	A	-1.7798
85	S	A	0.0000
86	K	A	-2.0646
87	P	A	-1.3186
88	I	A	-0.6358
89	S	A	-0.8484
90	I	A	-0.7349
91	N	A	-1.7341
92	Y	A	-1.4823
93	R	A	-2.5353
94	T	A	-1.6354