Project name: query_structure

Chain sequence(s)	A: VSSVPTKLEVVAATPTSLLVSWDAPAVTVVFYDITYGETGGNSPVQEFTVSGSKSTATISGLKPGVDYTITVYAKYLFWSGYSSPISINYRT
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                                          (00:01:28)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:30)

• Minimal score value: -2.6612
• Maximal score value: 3.0187
• Average score: -0.2491
• Total score value: -22.916

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	1.7772
2	S	A	0.7736
3	S	A	0.5905
4	V	A	0.4446
5	P	A	0.0000
6	T	A	-1.6311
7	K	A	-2.6612
8	L	A	0.0000
9	E	A	-1.9135
10	V	A	0.0992
11	V	A	1.5328
12	A	A	0.8900
13	A	A	0.3014
14	T	A	-0.3384
15	P	A	-1.1049
16	T	A	-0.9913
17	S	A	-0.5279
18	L	A	0.0000
19	L	A	0.7278
20	V	A	0.0000
21	S	A	-0.9252
22	W	A	0.0000
23	D	A	-2.5839
24	A	A	-1.1980
25	P	A	0.0043
26	A	A	0.4392
27	V	A	0.8148
28	T	A	0.8146
29	V	A	1.0239
30	V	A	1.5061
31	F	A	1.3534
32	Y	A	0.0000
33	D	A	-0.0477
34	I	A	0.0000
35	T	A	-0.5729
36	Y	A	-0.3995
37	G	A	0.0000
38	E	A	-1.5785
39	T	A	-1.2384
40	G	A	-1.2319
41	G	A	-1.4075
42	N	A	-1.5463
43	S	A	-0.9248
44	P	A	-0.4211
45	V	A	0.2584
46	Q	A	-1.1787
47	E	A	-1.7434
48	F	A	-0.5955
49	T	A	0.0922
50	V	A	0.2883
51	S	A	0.0234
52	G	A	0.0856
53	S	A	-0.5670
54	K	A	-1.4296
55	S	A	-1.0897
56	T	A	-0.6214
57	A	A	0.0000
58	T	A	0.2619
59	I	A	0.0000
60	S	A	-0.6578
61	G	A	-1.0251
62	L	A	0.0000
63	K	A	-2.3551
64	P	A	-1.6363
65	G	A	-1.4280
66	V	A	-1.3820
67	D	A	-2.0656
68	Y	A	0.0000
69	T	A	-0.7623
70	I	A	0.0000
71	T	A	-0.1253
72	V	A	0.0000
73	Y	A	0.5411
74	A	A	0.0000
75	K	A	0.9848
76	Y	A	0.0000
77	L	A	2.7823
78	F	A	3.0187
79	W	A	2.2220
80	S	A	1.0116
81	G	A	0.8639
82	Y	A	1.0602
83	S	A	0.4814
84	S	A	0.0933
85	P	A	0.2178
86	I	A	0.0921
87	S	A	-0.5002
88	I	A	-0.7230
89	N	A	-1.7173
90	Y	A	-1.4345
91	R	A	-2.4921
92	T	A	-1.6145