Project name: query_structure

Chain sequence(s)	A: GSSVPTNLEVVAATPTSLLISWDASYSSYVYYYRITYGETGGNSPVQEFTVPGSKSTATISGLKPGVDYTITVYAYSYYYYYYSSPISINYRT
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                                          (00:00:33)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:33)

• Minimal score value: -2.5488
• Maximal score value: 3.6545
• Average score: -0.1708
• Total score value: -15.8817

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	G	A	-0.1634
2	S	A	-0.0675
3	S	A	0.0000
4	V	A	0.3151
5	P	A	0.0000
6	T	A	-1.2553
7	N	A	-2.0392
8	L	A	-1.3274
9	E	A	-1.6234
10	V	A	0.2816
11	V	A	1.6168
12	A	A	0.9358
13	A	A	0.3438
14	T	A	-0.3304
15	P	A	-1.1159
16	T	A	-1.0054
17	S	A	-0.5111
18	L	A	0.0000
19	L	A	0.8081
20	I	A	0.0000
21	S	A	-0.6985
22	W	A	0.0000
23	D	A	-1.9223
24	A	A	-0.7176
25	S	A	0.3826
26	Y	A	1.1590
27	S	A	1.0775
28	S	A	1.0970
29	Y	A	2.4405
30	V	A	2.2644
31	Y	A	2.4644
32	Y	A	0.9896
33	Y	A	0.0000
34	R	A	-0.2825
35	I	A	0.0000
36	T	A	-0.6453
37	Y	A	-0.4624
38	G	A	0.0000
39	E	A	-1.9132
40	T	A	-1.4199
41	G	A	-1.3970
42	G	A	-1.3417
43	N	A	-1.7313
44	S	A	-0.9873
45	P	A	-0.4113
46	V	A	0.2478
47	Q	A	-1.2530
48	E	A	-1.8383
49	F	A	-0.7334
50	T	A	-0.0690
51	V	A	-0.0841
52	P	A	-0.2201
53	G	A	0.2494
54	S	A	-0.6045
55	K	A	-1.6741
56	S	A	-1.1258
57	T	A	-0.5659
58	A	A	0.0000
59	T	A	0.1573
60	I	A	0.0000
61	S	A	-0.6536
62	G	A	-1.0265
63	L	A	0.0000
64	K	A	-2.4213
65	P	A	-1.7010
66	G	A	-1.4970
67	V	A	-1.5689
68	D	A	-2.1006
69	Y	A	-1.3436
70	T	A	-0.7860
71	I	A	0.0000
72	T	A	0.0000
73	V	A	0.0000
74	Y	A	0.3738
75	A	A	0.0000
76	Y	A	2.2166
77	S	A	0.0000
78	Y	A	3.6545
79	Y	A	3.3254
80	Y	A	3.0303
81	Y	A	3.2842
82	Y	A	2.5785
83	Y	A	1.5923
84	S	A	0.0000
85	S	A	0.1116
86	P	A	-0.0162
87	I	A	0.0706
88	S	A	-0.4986
89	I	A	-0.5938
90	N	A	-1.6972
91	Y	A	-1.4513
92	R	A	-2.5488
93	T	A	-1.5083