Project name: query_structure

Chain sequence(s)	A: MGVSDVPRDLEVVAATPTSLLISWKYPYETISYYRITYGETGGNSPVQEFTVPYYRSTATISGLKPGVDYTITVYAVEASAPYSDGGSPISINYRTEIDKPS
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                                          (00:01:24)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:25)

• Minimal score value: -2.868
• Maximal score value: 1.4979
• Average score: -0.5796
• Total score value: -59.1199

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	M	A	1.2615
2	G	A	0.6188
3	V	A	1.3311
4	S	A	-0.3124
5	D	A	-1.4150
6	V	A	-0.8960
7	P	A	0.0000
8	R	A	-2.2820
9	D	A	-2.8680
10	L	A	0.0000
11	E	A	-1.8978
12	V	A	0.0285
13	V	A	1.4979
14	A	A	0.8605
15	A	A	0.0581
16	T	A	-0.6514
17	P	A	-1.7250
18	T	A	-1.1479
19	S	A	-0.6395
20	L	A	0.0000
21	L	A	0.7046
22	I	A	0.0000
23	S	A	-1.0249
24	W	A	0.0000
25	K	A	-2.3493
26	Y	A	-1.0714
27	P	A	-0.6324
28	Y	A	-0.2728
29	E	A	-1.1057
30	T	A	-0.5926
31	I	A	0.0000
32	S	A	0.2895
33	Y	A	0.8698
34	Y	A	0.0000
35	R	A	-0.3707
36	I	A	0.0000
37	T	A	0.0000
38	Y	A	-0.2279
39	G	A	0.0000
40	E	A	-1.2815
41	T	A	-1.1173
42	G	A	-1.1608
43	G	A	-1.2734
44	N	A	-1.4998
45	S	A	-0.7778
46	P	A	-0.2511
47	V	A	0.5460
48	Q	A	-0.7100
49	E	A	-1.6030
50	F	A	-0.6780
51	T	A	-0.0586
52	V	A	0.0000
53	P	A	0.5504
54	Y	A	1.2477
55	Y	A	0.8752
56	R	A	-0.8601
57	S	A	-0.7425
58	T	A	-0.5708
59	A	A	0.0000
60	T	A	0.2229
61	I	A	0.0000
62	S	A	-0.6453
63	G	A	-0.9969
64	L	A	0.0000
65	K	A	-2.3572
66	P	A	-1.9000
67	G	A	-1.3875
68	V	A	-1.1636
69	D	A	-2.0518
70	Y	A	0.0000
71	T	A	-0.7063
72	I	A	0.0000
73	T	A	-0.1656
74	V	A	0.0000
75	Y	A	-0.2918
76	A	A	0.0000
77	V	A	-0.1927
78	E	A	-0.6040
79	A	A	-0.1897
80	S	A	-0.2880
81	A	A	-0.3181
82	P	A	-0.2066
83	Y	A	0.4888
84	S	A	-0.7153
85	D	A	-1.6834
86	G	A	0.0000
87	G	A	-1.3202
88	S	A	-0.9230
89	P	A	-0.6083
90	I	A	-0.0794
91	S	A	-0.3167
92	I	A	-0.8656
93	N	A	-1.5123
94	Y	A	-1.5850
95	R	A	-2.4549
96	T	A	0.0000
97	E	A	-2.0656
98	I	A	-1.1831
99	D	A	-2.6528
100	K	A	-2.5494
101	P	A	-1.4705
102	S	A	-1.0532