Project name: query_structure

Chain sequence(s)	A: VSSVPTKLEVVAATPTSLLISWDASSSSVSYYRITYGETGGNSPVQEFTVPGSSSTATISGLSPGVDYTITVYAYYWYQYSYYQYSPISINYRT
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                                          (00:00:27)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:28)

• Minimal score value: -2.5708
• Maximal score value: 2.3255
• Average score: -0.2534
• Total score value: -23.816

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	1.6633
2	S	A	0.6189
3	S	A	0.2128
4	V	A	-0.0567
5	P	A	0.0000
6	T	A	-1.5177
7	K	A	-2.5708
8	L	A	0.0000
9	E	A	-1.9032
10	V	A	0.0820
11	V	A	1.5122
12	A	A	0.8728
13	A	A	0.2881
14	T	A	-0.3829
15	P	A	-0.8024
16	T	A	-0.5282
17	S	A	-0.3228
18	L	A	0.0000
19	L	A	0.7013
20	I	A	0.0000
21	S	A	-0.7246
22	W	A	0.0000
23	D	A	-2.2478
24	A	A	-1.0721
25	S	A	-0.5441
26	S	A	-0.2557
27	S	A	-0.3513
28	S	A	0.1382
29	V	A	0.2575
30	S	A	0.5070
31	Y	A	0.0678
32	Y	A	0.0000
33	R	A	-0.8414
34	I	A	0.0000
35	T	A	-0.5926
36	Y	A	0.0000
37	G	A	0.0000
38	E	A	-1.2671
39	T	A	-1.2022
40	G	A	-1.2091
41	G	A	-1.3234
42	N	A	-1.5088
43	S	A	-0.7886
44	P	A	-0.2808
45	V	A	0.4816
46	Q	A	-0.7499
47	E	A	-1.6332
48	F	A	-0.6952
49	T	A	-0.3937
50	V	A	0.0000
51	P	A	-0.3840
52	G	A	-0.3057
53	S	A	-0.3813
54	S	A	-0.4269
55	S	A	-0.5735
56	T	A	-0.2390
57	A	A	0.0000
58	T	A	0.2798
59	I	A	0.0000
60	S	A	-0.4765
61	G	A	-0.6819
62	L	A	0.0000
63	S	A	-0.8098
64	P	A	-0.9823
65	G	A	-1.0718
66	V	A	-0.9241
67	D	A	-1.8013
68	Y	A	0.0000
69	T	A	-0.7557
70	I	A	0.0000
71	T	A	-0.2039
72	V	A	0.0000
73	Y	A	-0.0320
74	A	A	0.0000
75	Y	A	0.0000
76	Y	A	1.4178
77	W	A	2.3255
78	Y	A	2.0061
79	Q	A	0.4799
80	Y	A	1.6092
81	S	A	1.4103
82	Y	A	1.9200
83	Y	A	1.3966
84	Q	A	-0.1526
85	Y	A	-0.0349
86	S	A	-0.1948
87	P	A	-0.1518
88	I	A	0.1040
89	S	A	-0.5180
90	I	A	-0.7079
91	N	A	-1.7025
92	Y	A	-1.4059
93	R	A	-2.3082
94	T	A	-1.1761