Project name: query_structure

Chain sequence(s)	A: VSSVPTKLEVVAATPTSLLVSWDAPAVTVVFYDITYGETGGNSPVQEFTVSGSKSTATISGLKPGVDYTITVYAKYLWYSGYSSPISINYRT
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                                          (00:01:16)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:17)

• Minimal score value: -2.6137
• Maximal score value: 2.7177
• Average score: -0.283
• Total score value: -26.0394

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	1.8025
2	S	A	0.7806
3	S	A	0.6136
4	V	A	0.3948
5	P	A	0.0000
6	T	A	-1.6418
7	K	A	-2.6137
8	L	A	-1.6642
9	E	A	-1.8484
10	V	A	0.1322
11	V	A	1.5578
12	A	A	0.9034
13	A	A	0.3074
14	T	A	-0.3401
15	P	A	-1.1105
16	T	A	-0.9940
17	S	A	-0.5242
18	L	A	0.0000
19	L	A	0.7596
20	V	A	0.0000
21	S	A	-0.9123
22	W	A	0.0000
23	D	A	-2.6115
24	A	A	-1.2301
25	P	A	0.0230
26	A	A	0.5042
27	V	A	1.0544
28	T	A	0.7969
29	V	A	0.0000
30	V	A	1.4132
31	F	A	1.2658
32	Y	A	0.0000
33	D	A	-0.0308
34	I	A	0.0000
35	T	A	-0.4736
36	Y	A	-0.2938
37	G	A	0.0000
38	E	A	-1.6172
39	T	A	-1.2867
40	G	A	-1.2565
41	G	A	-1.4291
42	N	A	-1.5599
43	S	A	-0.8923
44	P	A	-0.3408
45	V	A	0.4151
46	Q	A	-0.8501
47	E	A	-1.5893
48	F	A	-0.5598
49	T	A	0.0983
50	V	A	0.1879
51	S	A	-0.0492
52	G	A	-0.0055
53	S	A	-0.6991
54	K	A	-1.6365
55	S	A	-1.1811
56	T	A	-0.6738
57	A	A	0.0000
58	T	A	0.2690
59	I	A	0.0000
60	S	A	-0.6536
61	G	A	-1.0257
62	L	A	0.0000
63	K	A	-2.3700
64	P	A	-1.6453
65	G	A	-1.4425
66	V	A	-1.4212
67	D	A	-2.1349
68	Y	A	0.0000
69	T	A	-0.7965
70	I	A	0.0000
71	T	A	-0.1308
72	V	A	0.0000
73	Y	A	0.5784
74	A	A	0.0000
75	K	A	1.2630
76	Y	A	0.0000
77	L	A	2.7177
78	W	A	2.5053
79	Y	A	2.3439
80	S	A	1.0897
81	G	A	1.0457
82	Y	A	1.1289
83	S	A	0.0000
84	S	A	0.0863
85	P	A	0.1241
86	I	A	-0.0050
87	S	A	-0.5587
88	I	A	-0.7173
89	N	A	-1.7464
90	Y	A	-1.4766
91	R	A	-2.5322
92	T	A	-1.6295