Project name: query_structure

Chain sequence(s)	A: VSDVPRDLEVVAATPTSLLISWDAPAVTVDYYVITYGETGVGWVPGQTFEVPGSKSTATISGLKPGVDYTITVYAYHEYYFISPISINYRT
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                                          (00:00:29)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:30)

• Minimal score value: -3.7516
• Maximal score value: 2.7037
• Average score: -0.4189
• Total score value: -38.1202

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	1.4620
2	S	A	-0.1504
3	D	A	-1.0978
4	V	A	-0.8010
5	P	A	0.0000
6	R	A	-3.7516
7	D	A	-3.6149
8	L	A	0.0000
9	E	A	-2.2076
10	V	A	0.0835
11	V	A	1.5429
12	A	A	0.8984
13	A	A	0.3046
14	T	A	-0.3484
15	P	A	-1.1251
16	T	A	-1.0020
17	S	A	-0.5366
18	L	A	0.0000
19	L	A	0.7454
20	I	A	0.0000
21	S	A	-1.2027
22	W	A	0.0000
23	D	A	-3.3975
24	A	A	-1.8839
25	P	A	-0.8294
26	A	A	0.1577
27	V	A	0.3511
28	T	A	-0.4497
29	V	A	0.0000
30	D	A	-1.0527
31	Y	A	-0.8938
32	Y	A	0.0000
33	V	A	0.1137
34	I	A	0.0000
35	T	A	-0.4603
36	Y	A	0.0000
37	G	A	-0.3818
38	E	A	-0.8388
39	T	A	-0.6251
40	G	A	0.2072
41	V	A	1.4816
42	G	A	0.8826
43	W	A	1.5205
44	V	A	1.1845
45	P	A	0.0820
46	G	A	-0.1566
47	Q	A	-1.1355
48	T	A	-0.7743
49	F	A	-0.6017
50	E	A	-1.3757
51	V	A	0.0000
52	P	A	-1.2362
53	G	A	-1.2135
54	S	A	-1.2558
55	K	A	-2.0048
56	S	A	-1.3990
57	T	A	-0.7736
58	A	A	0.0000
59	T	A	0.2913
60	I	A	0.0000
61	S	A	-0.7826
62	G	A	-1.1596
63	L	A	0.0000
64	K	A	-2.3893
65	P	A	-1.6602
66	G	A	-1.4381
67	V	A	-1.4409
68	D	A	-1.8959
69	Y	A	0.0000
70	T	A	-0.8977
71	I	A	0.0000
72	T	A	-0.0214
73	V	A	0.0000
74	Y	A	0.8442
75	A	A	0.0000
76	Y	A	1.3047
77	H	A	0.1034
78	E	A	-0.8062
79	Y	A	1.4692
80	Y	A	2.3422
81	F	A	2.7037
82	I	A	1.4258
83	S	A	0.3801
84	P	A	0.1257
85	I	A	-0.2453
86	S	A	-0.6912
87	I	A	-0.7538
88	N	A	-1.7800
89	Y	A	-1.5159
90	R	A	-2.5518
91	T	A	-1.5205