Project name: query_structure

Chain sequence(s)	A: VSDVPRDLEVVAATPTSLLISWDAPAVTVRYYRITYGETGGNSPVQEFTVPGSKSTATISGLKPGVDYTITVYAVTGGIAELLRSKPISINYRT
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                                          (00:00:40)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:41)

• Minimal score value: -3.3904
• Maximal score value: 1.6197
• Average score: -0.6781
• Total score value: -63.7416

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	1.6197
2	S	A	0.0575
3	D	A	-0.7560
4	V	A	-1.1662
5	P	A	0.0000
6	R	A	-3.1561
7	D	A	-3.3904
8	L	A	0.0000
9	E	A	-2.1055
10	V	A	0.1137
11	V	A	1.5452
12	A	A	0.9028
13	A	A	0.3253
14	T	A	-0.5245
15	P	A	-1.1224
16	T	A	-1.0013
17	S	A	-0.5298
18	L	A	0.0000
19	L	A	0.7526
20	I	A	0.0000
21	S	A	-1.1377
22	W	A	0.0000
23	D	A	-3.2198
24	A	A	-1.6740
25	P	A	-0.5399
26	A	A	0.2827
27	V	A	0.3760
28	T	A	-0.3562
29	V	A	-0.9667
30	R	A	-1.4573
31	Y	A	-1.1131
32	Y	A	0.0000
33	R	A	-0.6666
34	I	A	0.0000
35	T	A	-0.5439
36	Y	A	0.0000
37	G	A	0.0000
38	E	A	-1.5402
39	T	A	-1.2332
40	G	A	-1.2264
41	G	A	-1.4067
42	N	A	-1.5504
43	S	A	-0.8716
44	P	A	-0.3310
45	V	A	0.4208
46	Q	A	-0.8482
47	E	A	-1.6143
48	F	A	-0.6179
49	T	A	-0.2280
50	V	A	0.0000
51	P	A	-1.0860
52	G	A	-1.3112
53	S	A	-1.3381
54	K	A	-2.1671
55	S	A	-1.3940
56	T	A	-0.7627
57	A	A	0.0000
58	T	A	0.2395
59	I	A	0.0000
60	S	A	-0.6611
61	G	A	-1.0286
62	L	A	0.0000
63	K	A	-2.3610
64	P	A	-1.6566
65	G	A	-1.4360
66	V	A	-1.3789
67	D	A	-2.0365
68	Y	A	0.0000
69	T	A	-0.7917
70	I	A	0.0000
71	T	A	-0.3630
72	V	A	0.0000
73	Y	A	-0.7486
74	A	A	0.0000
75	V	A	0.0000
76	T	A	-0.5275
77	G	A	0.0013
78	G	A	0.2036
79	I	A	1.5739
80	A	A	0.3788
81	E	A	-0.6399
82	L	A	0.6504
83	L	A	-0.1490
84	R	A	-1.6110
85	S	A	0.0000
86	K	A	-2.0793
87	P	A	-1.2733
88	I	A	-0.6472
89	S	A	-0.8763
90	I	A	-0.7477
91	N	A	-1.7103
92	Y	A	-1.4116
93	R	A	-2.4875
94	T	A	-1.6084