Project name: query_structure

Chain sequence(s)	A: VSSVPTKLEVVAATPTSLLISWDAPAVTVSYYVITYGETGGPFWHYQTFTVPGSKSTATISGLKPGVDYTITVYAYSPYYPAPYRSSPISINYRT
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                                          (00:00:31)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:32)

• Minimal score value: -2.6799
• Maximal score value: 1.8182
• Average score: -0.312
• Total score value: -29.6372

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	1.7874
2	S	A	0.7980
3	S	A	0.4892
4	V	A	0.2024
5	P	A	0.0000
6	T	A	-1.6389
7	K	A	-2.6799
8	L	A	0.0000
9	E	A	-1.9159
10	V	A	0.1267
11	V	A	1.5492
12	A	A	0.8995
13	A	A	0.3125
14	T	A	-0.5269
15	P	A	-1.1190
16	T	A	-0.9923
17	S	A	-0.5270
18	L	A	0.0000
19	L	A	0.7588
20	I	A	0.0000
21	S	A	-0.9638
22	W	A	0.0000
23	D	A	-2.6760
24	A	A	-1.2508
25	P	A	0.0242
26	A	A	0.4437
27	V	A	0.6838
28	T	A	0.2056
29	V	A	0.0918
30	S	A	0.2172
31	Y	A	-0.2011
32	Y	A	0.0000
33	V	A	0.1513
34	I	A	0.0000
35	T	A	0.0000
36	Y	A	-0.3607
37	G	A	0.0000
38	E	A	-1.6383
39	T	A	-1.0190
40	G	A	-0.6204
41	G	A	-0.3325
42	P	A	0.5830
43	F	A	1.8182
44	W	A	1.4214
45	H	A	-0.2054
46	Y	A	-0.0795
47	Q	A	-0.8643
48	T	A	-0.4049
49	F	A	0.2515
50	T	A	0.2972
51	V	A	0.0000
52	P	A	-0.6544
53	G	A	-0.6119
54	S	A	-1.0864
55	K	A	-2.0399
56	S	A	-1.4115
57	T	A	-0.7750
58	A	A	0.0000
59	T	A	0.2424
60	I	A	0.0000
61	S	A	-0.6591
62	G	A	-1.0256
63	L	A	0.0000
64	K	A	-2.3898
65	P	A	-1.6530
66	G	A	-1.4573
67	V	A	-1.4710
68	D	A	-2.1701
69	Y	A	0.0000
70	T	A	-1.0062
71	I	A	0.0000
72	T	A	-0.0442
73	V	A	0.0000
74	Y	A	0.0000
75	A	A	0.0000
76	Y	A	0.0980
77	S	A	0.0000
78	P	A	0.5290
79	Y	A	1.3645
80	Y	A	1.6505
81	P	A	0.8313
82	A	A	0.6233
83	P	A	0.5783
84	Y	A	0.7092
85	R	A	-1.0562
86	S	A	-0.5299
87	S	A	-0.3962
88	P	A	-0.3050
89	I	A	0.0350
90	S	A	-0.5557
91	I	A	-0.7004
92	N	A	-1.7649
93	Y	A	-1.5275
94	R	A	-2.5827
95	T	A	-1.5208