Project name: query_structure

Chain sequence(s)	A: GSSVPTNLEVVAATPTSLLISWDASYYYVSYYRITYGETGGNSPVQEFTVPSYYSTATISGLKPGVDYTITVYAYYYYSYYYYYYSPISINYRT
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                                          (00:00:27)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:28)

• Minimal score value: -2.4584
• Maximal score value: 3.619
• Average score: 0.1277
• Total score value: 12.004

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	-0.1121
2	S	A	-0.0004
3	S	A	0.9684
4	V	A	0.6631
5	P	A	0.0000
6	T	A	-1.2647
7	N	A	-2.0438
8	L	A	0.0000
9	E	A	-1.6762
10	V	A	0.1690
11	V	A	1.5543
12	A	A	0.9178
13	A	A	0.3391
14	T	A	-0.1523
15	P	A	-1.1025
16	T	A	-0.9935
17	S	A	-0.5024
18	L	A	0.0000
19	L	A	0.8066
20	I	A	0.0000
21	S	A	-0.4680
22	W	A	0.0000
23	D	A	-1.6078
24	A	A	0.1646
25	S	A	0.6964
26	Y	A	1.5931
27	Y	A	1.8665
28	Y	A	2.2285
29	V	A	2.0988
30	S	A	1.1606
31	Y	A	0.8765
32	Y	A	0.0000
33	R	A	-0.4846
34	I	A	0.0000
35	T	A	-0.4422
36	Y	A	-0.1540
37	G	A	0.0000
38	E	A	-1.5549
39	T	A	-1.2567
40	G	A	-1.3171
41	G	A	-1.2354
42	N	A	-1.6686
43	S	A	-0.7871
44	P	A	-0.1925
45	V	A	0.6007
46	Q	A	-0.6256
47	E	A	-1.4114
48	F	A	-0.5171
49	T	A	-0.2106
50	V	A	0.5656
51	P	A	0.6754
52	S	A	1.1808
53	Y	A	1.8358
54	Y	A	1.5530
55	S	A	0.4409
56	T	A	0.3742
57	A	A	0.0000
58	T	A	0.0885
59	I	A	0.0000
60	S	A	-0.6459
61	G	A	-1.0247
62	L	A	0.0000
63	K	A	-2.3495
64	P	A	-1.6726
65	G	A	-1.4515
66	V	A	-1.4101
67	D	A	-1.9208
68	Y	A	-1.1641
69	T	A	-0.6705
70	I	A	0.0000
71	T	A	0.0000
72	V	A	0.0000
73	Y	A	0.7186
74	A	A	0.0000
75	Y	A	2.1061
76	Y	A	0.0000
77	Y	A	2.9817
78	Y	A	2.4770
79	S	A	1.4286
80	Y	A	2.3482
81	Y	A	3.1949
82	Y	A	3.6049
83	Y	A	3.6190
84	Y	A	3.4411
85	Y	A	2.5610
86	S	A	1.2704
87	P	A	0.5948
88	I	A	0.1833
89	S	A	-0.4069
90	I	A	-0.5457
91	N	A	-1.6068
92	Y	A	-1.3639
93	R	A	-2.4584
94	T	A	-1.4709