Project name: query_structure

Chain sequence(s)	A: MIPGGLSEAKPATPEIQEIVDKVKPQLEEKTNETYGKLEAVQYKTQVVAGTNYYIKVRAGDNKYMHLKVFKSLPGQNEDLVLTGYQVDKKDDELTGF
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:03:02)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:03)

• Minimal score value: -4.1822
• Maximal score value: 2.2388
• Average score: -1.152
• Total score value: -111.7475

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	1.6588
2	I	A	2.2388
3	P	A	1.0924
4	G	A	0.6778
5	G	A	0.5751
6	L	A	0.1259
7	S	A	-0.4924
8	E	A	-1.9593
9	A	A	-1.7993
10	K	A	-1.5776
11	P	A	-0.7799
12	A	A	-0.9344
13	T	A	-1.2403
14	P	A	-1.7456
15	E	A	-2.8619
16	I	A	0.0000
17	Q	A	-2.7568
18	E	A	-3.9349
19	I	A	0.0000
20	V	A	0.0000
21	D	A	-4.1822
22	K	A	-3.3560
23	V	A	0.0000
24	K	A	-2.7419
25	P	A	-2.1958
26	Q	A	-2.1093
27	L	A	0.0000
28	E	A	-3.0107
29	E	A	-3.7237
30	K	A	-3.2329
31	T	A	-2.6007
32	N	A	-3.3402
33	E	A	-3.1877
34	T	A	-1.8814
35	Y	A	-1.3399
36	G	A	-1.6572
37	K	A	-2.7175
38	L	A	0.0000
39	E	A	-2.3349
40	A	A	-1.5999
41	V	A	-0.3378
42	Q	A	-1.0968
43	Y	A	0.0000
44	K	A	-1.1057
45	T	A	-0.0835
46	Q	A	0.6080
47	V	A	1.9798
48	V	A	1.7416
49	A	A	1.0843
50	G	A	0.0000
51	T	A	0.9904
52	N	A	0.5057
53	Y	A	0.0841
54	Y	A	0.0000
55	I	A	0.0000
56	K	A	-1.0238
57	V	A	0.0000
58	R	A	-2.5305
59	A	A	-1.9756
60	G	A	-2.5300
61	D	A	-2.9233
62	N	A	-3.2982
63	K	A	-2.8903
64	Y	A	-2.5995
65	M	A	0.0000
66	H	A	0.0000
67	L	A	0.0000
68	K	A	0.0256
69	V	A	0.0000
70	F	A	0.2393
71	K	A	-0.8889
72	S	A	-1.1772
73	L	A	-0.2758
74	P	A	-1.2368
75	G	A	-1.5583
76	Q	A	-2.6792
77	N	A	-3.2163
78	E	A	-3.4286
79	D	A	-2.8962
80	L	A	-1.2587
81	V	A	-0.1556
82	L	A	0.0000
83	T	A	0.3669
84	G	A	0.1737
85	Y	A	0.4856
86	Q	A	0.1435
87	V	A	-0.0260
88	D	A	-2.5065
89	K	A	-3.0410
90	K	A	-3.6665
91	D	A	-3.7403
92	D	A	-3.8589
93	E	A	-3.2689
94	L	A	0.0000
95	T	A	-0.6880
96	G	A	-0.1421
97	F	A	0.8543