Project name: query_structure

Chain sequence(s)	A: VSDVPRDLEVVAATPTSLLISWDAPAVTVDLYYITYGETGWWYPSSYQEFAVPGSKSTATISGLKPGVDYTITVYAESGWGYDVSSPISINYRT
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                                          (00:00:28)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:29)

• Minimal score value: -3.4313
• Maximal score value: 2.0911
• Average score: -0.4326
• Total score value: -40.6598

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	1.6556
2	S	A	0.3430
3	D	A	-0.1205
4	V	A	-0.1886
5	P	A	0.0000
6	R	A	-3.1866
7	D	A	-3.4313
8	L	A	0.0000
9	E	A	-2.1313
10	V	A	0.1028
11	V	A	1.5424
12	A	A	0.8978
13	A	A	0.3121
14	T	A	-0.5342
15	P	A	-1.1374
16	T	A	-1.0064
17	S	A	-0.5346
18	L	A	0.0000
19	L	A	0.7461
20	I	A	0.0000
21	S	A	-1.1410
22	W	A	0.0000
23	D	A	-3.2529
24	A	A	-1.7093
25	P	A	-0.5372
26	A	A	0.2742
27	V	A	0.3146
28	T	A	-0.4196
29	V	A	0.0000
30	D	A	-1.7570
31	L	A	-0.4110
32	Y	A	0.0000
33	Y	A	0.2918
34	I	A	0.0000
35	T	A	-0.8835
36	Y	A	-0.8040
37	G	A	0.0000
38	E	A	-0.8643
39	T	A	-0.5143
40	G	A	0.3582
41	W	A	1.7322
42	W	A	2.0911
43	Y	A	2.0526
44	P	A	0.7214
45	S	A	0.0926
46	S	A	0.1592
47	Y	A	-0.4789
48	Q	A	-1.8855
49	E	A	-1.9964
50	F	A	-0.4606
51	A	A	-0.0816
52	V	A	0.0000
53	P	A	-0.9571
54	G	A	-1.2252
55	S	A	-1.3186
56	K	A	-2.1305
57	S	A	-1.4306
58	T	A	-0.7607
59	A	A	0.0000
60	T	A	0.2393
61	I	A	0.0000
62	S	A	-0.6568
63	G	A	-1.0308
64	L	A	0.0000
65	K	A	-2.3472
66	P	A	-1.6481
67	G	A	-1.4168
68	V	A	-1.3292
69	D	A	-1.9041
70	Y	A	0.0000
71	T	A	-0.7313
72	I	A	0.0000
73	T	A	-0.2990
74	V	A	0.0000
75	Y	A	0.3866
76	A	A	0.0000
77	E	A	-0.0425
78	S	A	0.0000
79	G	A	0.0116
80	W	A	0.7051
81	G	A	0.3433
82	Y	A	0.9583
83	D	A	-0.5411
84	V	A	1.0078
85	S	A	0.0000
86	S	A	-0.1073
87	P	A	-0.0300
88	I	A	-0.4195
89	S	A	-0.4556
90	I	A	-0.7511
91	N	A	-1.6732
92	Y	A	-1.3825
93	R	A	-2.4587
94	T	A	-1.4840