Project name: query_structure

Chain sequence(s)	A: VSSVPTKLEVVAATPTSLLISWDAPAVTVLYYFITYGETGPASYGAQEFAVPGSKSTATISGLKPGVDYTITVYAISNKWKYSPISINYRT
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                                          (00:00:42)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:43)

• Minimal score value: -2.6438
• Maximal score value: 1.8554
• Average score: -0.4672
• Total score value: -42.5118

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	1.8554
2	S	A	0.9274
3	S	A	0.7013
4	V	A	0.5817
5	P	A	0.0000
6	T	A	-1.5934
7	K	A	-2.5852
8	L	A	0.0000
9	E	A	-1.7770
10	V	A	0.1690
11	V	A	1.5743
12	A	A	0.9096
13	A	A	0.2976
14	T	A	-0.3501
15	P	A	-1.1335
16	T	A	-1.0046
17	S	A	-0.5361
18	L	A	0.0000
19	L	A	0.7607
20	I	A	0.0000
21	S	A	-0.9264
22	W	A	0.0000
23	D	A	-2.6438
24	A	A	-1.1838
25	P	A	0.1400
26	A	A	0.5828
27	V	A	0.8236
28	T	A	0.0130
29	V	A	0.0778
30	L	A	0.6458
31	Y	A	0.5326
32	Y	A	0.0000
33	F	A	0.7142
34	I	A	0.0000
35	T	A	-0.7514
36	Y	A	0.0000
37	G	A	-1.2618
38	E	A	-2.0097
39	T	A	-1.4659
40	G	A	-0.7820
41	P	A	-0.4049
42	A	A	-0.0839
43	S	A	-0.3132
44	Y	A	0.6648
45	G	A	-0.5027
46	A	A	-1.0025
47	Q	A	-1.6924
48	E	A	-1.8769
49	F	A	-0.3830
50	A	A	0.2728
51	V	A	0.0000
52	P	A	-0.3192
53	G	A	-0.2231
54	S	A	-0.8878
55	K	A	-1.9188
56	S	A	-1.3642
57	T	A	-0.7383
58	A	A	0.0000
59	T	A	0.2360
60	I	A	0.0000
61	S	A	-0.6596
62	G	A	-1.0314
63	L	A	0.0000
64	K	A	-2.4447
65	P	A	-1.6524
66	G	A	-1.4431
67	V	A	-1.5531
68	D	A	-2.2353
69	Y	A	0.0000
70	T	A	-1.1682
71	I	A	0.0000
72	T	A	-0.2018
73	V	A	0.0000
74	Y	A	0.9192
75	A	A	0.0000
76	I	A	0.0000
77	S	A	-0.5387
78	N	A	-1.7477
79	K	A	-2.0524
80	W	A	-0.3326
81	K	A	-0.9356
82	Y	A	0.9457
83	S	A	0.6731
84	P	A	0.4955
85	I	A	0.3525
86	S	A	-0.3213
87	I	A	-0.6958
88	N	A	-1.8247
89	Y	A	-1.5625
90	R	A	-2.6184
91	T	A	-1.6433