Project name: query_structure

Chain sequence(s)	A: MIPGGLTEARPATAEVQEIADRVKAQLEEETNEKYEIFKAVEYKTQVVAGVNYFIKMDVGGGCFTHIKVFKDLSGKNNLELTGYQTNKTEDDELTYF
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                                          (00:03:39)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:40)

• Minimal score value: -4.1886
• Maximal score value: 2.2837
• Average score: -0.9752
• Total score value: -94.5977

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	1.8754
2	I	A	2.2837
3	P	A	1.2893
4	G	A	0.9870
5	G	A	0.8703
6	L	A	0.4502
7	T	A	-0.4865
8	E	A	-2.1904
9	A	A	-2.0722
10	R	A	-2.3097
11	P	A	-1.3723
12	A	A	-1.1809
13	T	A	-1.2186
14	A	A	-1.3700
15	E	A	-2.5264
16	V	A	0.0000
17	Q	A	-2.4261
18	E	A	-3.2814
19	I	A	0.0000
20	A	A	0.0000
21	D	A	-3.0582
22	R	A	-3.2474
23	V	A	0.0000
24	K	A	-2.3342
25	A	A	-2.1719
26	Q	A	-2.5803
27	L	A	0.0000
28	E	A	-3.4842
29	E	A	-4.0675
30	E	A	-3.5719
31	T	A	-3.0966
32	N	A	-3.7988
33	E	A	-4.1886
34	K	A	-3.5222
35	Y	A	0.0000
36	E	A	-2.1041
37	I	A	-0.5738
38	F	A	0.0000
39	K	A	-1.6775
40	A	A	-1.2029
41	V	A	-0.9415
42	E	A	-1.6531
43	Y	A	-1.1089
44	K	A	0.0000
45	T	A	0.1126
46	Q	A	1.1283
47	V	A	2.1390
48	V	A	1.8419
49	A	A	1.1545
50	G	A	0.0000
51	V	A	1.3066
52	N	A	0.4051
53	Y	A	0.1717
54	F	A	0.0000
55	I	A	0.0000
56	K	A	0.0000
57	M	A	0.0000
58	D	A	-0.9025
59	V	A	-0.7816
60	G	A	-0.5741
61	G	A	-0.5285
62	G	A	-1.1773
63	C	A	-0.9060
64	F	A	0.0000
65	T	A	0.0000
66	H	A	0.0000
67	I	A	0.0000
68	K	A	-0.1892
69	V	A	0.0000
70	F	A	-0.3425
71	K	A	-0.9927
72	D	A	-0.8556
73	L	A	0.5507
74	S	A	-0.8648
75	G	A	-1.6190
76	K	A	-2.7869
77	N	A	-2.8397
78	N	A	-2.8557
79	L	A	-2.1794
80	E	A	-2.4043
81	L	A	0.0000
82	T	A	-0.4356
83	G	A	-0.1667
84	Y	A	-0.1153
85	Q	A	-0.6842
86	T	A	-0.9102
87	N	A	-1.6655
88	K	A	-2.2930
89	T	A	-2.5924
90	E	A	-3.4201
91	D	A	-3.5671
92	D	A	-3.2720
93	E	A	-2.9413
94	L	A	0.0000
95	T	A	0.0919
96	Y	A	1.1557
97	F	A	1.2697