Project name: query_structure

Chain sequence(s)	A: VSSVPTKLEVVAATPTSLLISWDAPAVTVFYYLITYGETGSSSYGMQTFEVPGSKSTATISGLKPGVDYTITVYAHSSLWGYSHSPISINYRT
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                                          (00:00:36)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:37)

• Minimal score value: -2.6959
• Maximal score value: 2.4953
• Average score: -0.2563
• Total score value: -23.8318

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	1.7940
2	S	A	0.7506
3	S	A	0.4898
4	V	A	0.1369
5	P	A	0.0000
6	T	A	-1.6546
7	K	A	-2.6229
8	L	A	0.0000
9	E	A	-1.8286
10	V	A	0.1392
11	V	A	1.5586
12	A	A	0.9024
13	A	A	0.2933
14	T	A	-0.5390
15	P	A	-1.1416
16	T	A	-1.0071
17	S	A	-0.5484
18	L	A	0.0000
19	L	A	0.7482
20	I	A	0.0000
21	S	A	-0.9464
22	W	A	0.0000
23	D	A	-2.6959
24	A	A	-1.2578
25	P	A	-0.0127
26	A	A	0.4659
27	V	A	0.9058
28	T	A	0.5346
29	V	A	0.9084
30	F	A	1.7156
31	Y	A	0.3671
32	Y	A	0.0000
33	L	A	-0.1436
34	I	A	0.0000
35	T	A	-0.3069
36	Y	A	0.0000
37	G	A	0.0000
38	E	A	-1.6070
39	T	A	-1.2049
40	G	A	-0.8984
41	S	A	-0.4820
42	S	A	-0.1016
43	S	A	0.0773
44	Y	A	0.9791
45	G	A	0.0027
46	M	A	-0.1251
47	Q	A	-0.6574
48	T	A	-0.5624
49	F	A	-0.5720
50	E	A	-1.4348
51	V	A	0.0000
52	P	A	-0.7715
53	G	A	-0.3440
54	S	A	-0.8406
55	K	A	-2.0570
56	S	A	-1.4371
57	T	A	-0.7714
58	A	A	0.0000
59	T	A	0.2321
60	I	A	0.0000
61	S	A	-0.6664
62	G	A	-1.0396
63	L	A	0.0000
64	K	A	-2.3627
65	P	A	-1.6316
66	G	A	-1.4127
67	V	A	-1.3671
68	D	A	-2.0462
69	Y	A	0.0000
70	T	A	-0.9682
71	I	A	0.0000
72	T	A	0.0511
73	V	A	0.0000
74	Y	A	0.3924
75	A	A	0.0000
76	H	A	0.0000
77	S	A	1.3004
78	S	A	1.7366
79	L	A	2.4953
80	W	A	2.0210
81	G	A	1.2518
82	Y	A	1.5305
83	S	A	0.5047
84	H	A	0.0625
85	S	A	-0.0399
86	P	A	0.0819
87	I	A	0.1316
88	S	A	-0.2929
89	I	A	-0.6846
90	N	A	-1.7522
91	Y	A	-1.4969
92	R	A	-2.5461
93	T	A	-1.5134