Project name: query_structure

Chain sequence(s)	A: VSSVPTKLEVVAATPTSLLISWDAPAVTVDFYFITYGETGYPGPPQEFTVPGSKSTATISGLKPGVDYTITVYAWAYYERLSPISIYRT
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                                          (00:00:41)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:42)

• Minimal score value: -2.3868
• Maximal score value: 1.7662
• Average score: -0.3752
• Total score value: -33.3911

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	1.7662
2	S	A	0.7537
3	S	A	0.3258
4	V	A	0.3059
5	P	A	0.0000
6	T	A	-1.3349
7	K	A	-2.3868
8	L	A	0.0000
9	E	A	-1.7628
10	V	A	-0.0136
11	V	A	1.5547
12	A	A	0.9381
13	A	A	0.5787
14	T	A	-0.3475
15	P	A	-0.8449
16	T	A	-0.9481
17	S	A	-0.4625
18	L	A	0.5442
19	L	A	0.8304
20	I	A	0.0000
21	S	A	-0.7789
22	W	A	0.0000
23	D	A	-1.7930
24	A	A	-0.8649
25	P	A	0.1759
26	A	A	0.4712
27	V	A	0.5646
28	T	A	-0.0061
29	V	A	0.0000
30	D	A	-1.1579
31	F	A	-0.2973
32	Y	A	0.0000
33	F	A	0.0746
34	I	A	0.0000
35	T	A	0.0000
36	Y	A	0.0000
37	G	A	-1.0107
38	E	A	-1.0818
39	T	A	-0.4046
40	G	A	-0.1350
41	Y	A	0.5507
42	P	A	0.0020
43	G	A	-0.2978
44	P	A	-0.8859
45	P	A	-1.4245
46	Q	A	-2.1571
47	E	A	-2.1419
48	F	A	-0.5354
49	T	A	0.1275
50	V	A	0.0000
51	P	A	-0.8055
52	G	A	-0.9946
53	S	A	-1.2548
54	K	A	-1.9517
55	S	A	-1.1103
56	T	A	-0.6365
57	A	A	0.0000
58	T	A	0.2898
59	I	A	0.0000
60	S	A	-0.6273
61	G	A	-1.0218
62	L	A	0.0000
63	K	A	-2.1060
64	P	A	-1.2938
65	G	A	-0.8916
66	V	A	-0.9211
67	D	A	-1.0930
68	Y	A	0.0000
69	T	A	-0.1835
70	I	A	0.0000
71	T	A	0.0019
72	V	A	0.0000
73	Y	A	0.0655
74	A	A	0.0000
75	W	A	-0.5123
76	A	A	0.0000
77	Y	A	0.8717
78	Y	A	0.4458
79	E	A	-1.7763
80	R	A	-2.0798
81	L	A	0.0000
82	S	A	-0.6973
83	P	A	-0.2816
84	I	A	0.0120
85	S	A	0.0103
86	I	A	0.0137
87	Y	A	0.3794
88	R	A	-1.1083
89	T	A	-0.6244