Project name: query_structure

Chain sequence(s)	A: VSSVPTKLEVVAATPTSLLISWDAPAVTVDYYYITYGETGGNSPVQEFEVPGSKSTATISGLKPGVDYTITVYAIDDLPYEHWPSPISINYRT
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                                          (00:01:23)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:25)

• Minimal score value: -2.5636
• Maximal score value: 1.8093
• Average score: -0.5931
• Total score value: -55.1627

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	1.8093
2	S	A	0.8163
3	S	A	0.5768
4	V	A	0.2994
5	P	A	0.0000
6	T	A	-1.5785
7	K	A	-2.5608
8	L	A	0.0000
9	E	A	-1.7864
10	V	A	0.1495
11	V	A	1.5651
12	A	A	0.9075
13	A	A	0.2974
14	T	A	-0.5323
15	P	A	-1.1307
16	T	A	-1.0039
17	S	A	-0.5346
18	L	A	0.0000
19	L	A	0.7607
20	I	A	0.0000
21	S	A	-0.9127
22	W	A	0.0000
23	D	A	-2.5636
24	A	A	-1.2090
25	P	A	0.0492
26	A	A	0.4827
27	V	A	0.5183
28	T	A	-0.3908
29	V	A	-0.9068
30	D	A	-1.9345
31	Y	A	-1.3901
32	Y	A	0.0000
33	Y	A	-0.3903
34	I	A	0.0000
35	T	A	-0.5709
36	Y	A	0.0000
37	G	A	0.0000
38	E	A	-1.4124
39	T	A	-1.2038
40	G	A	-1.2031
41	G	A	-1.3576
42	N	A	-1.5019
43	S	A	-0.7557
44	P	A	-0.2360
45	V	A	0.5540
46	Q	A	-0.6222
47	E	A	-1.7540
48	F	A	-1.2760
49	E	A	-1.7209
50	V	A	0.0000
51	P	A	-1.4157
52	G	A	-1.4622
53	S	A	-1.3556
54	K	A	-2.0066
55	S	A	-1.3951
56	T	A	-0.7457
57	A	A	0.0000
58	T	A	0.2397
59	I	A	0.0000
60	S	A	-0.6568
61	G	A	-1.0285
62	L	A	0.0000
63	K	A	-2.3502
64	P	A	-1.6485
65	G	A	-1.4398
66	V	A	-1.3684
67	D	A	-2.0712
68	Y	A	0.0000
69	T	A	-0.7971
70	I	A	0.0000
71	T	A	-0.0682
72	V	A	0.0000
73	Y	A	0.4620
74	A	A	0.0000
75	I	A	-0.4107
76	D	A	-1.1965
77	D	A	-1.5809
78	L	A	-0.1560
79	P	A	-0.1284
80	Y	A	0.3103
81	E	A	-1.1834
82	H	A	-0.8497
83	W	A	0.3371
84	P	A	0.1491
85	S	A	0.1930
86	P	A	0.3860
87	I	A	0.1406
88	S	A	-0.3301
89	I	A	-0.7199
90	N	A	-1.7358
91	Y	A	-1.4590
92	R	A	-2.5248
93	T	A	-1.6424