Project name: query_structure

Chain sequence(s)	A: MKGTFLICLILIAGFSFKSTQAGSICLEPKVVGPCTAYFPRFYFDSETGKCTPFIYGGCEGNGNNFETLHACRAICRA
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: -2.5458
• Maximal score value: 5.2363
• Average score: 0.1835
• Total score value: 14.3117

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	0.3048
2	K	A	-0.9259
3	G	A	0.0547
4	T	A	1.4449
5	F	A	3.3927
6	L	A	4.1553
7	I	A	4.8943
8	C	A	4.7478
9	L	A	5.2363
10	I	A	5.1316
11	L	A	4.7137
12	I	A	4.2326
13	A	A	2.5972
14	G	A	1.9860
15	F	A	2.6655
16	S	A	1.1828
17	F	A	1.4856
18	K	A	-0.8345
19	S	A	-0.8733
20	T	A	-1.0069
21	Q	A	-1.5529
22	A	A	-0.6767
23	G	A	-0.7173
24	S	A	-0.2646
25	I	A	0.1997
26	C	A	0.0000
27	L	A	0.7276
28	E	A	-0.3381
29	P	A	-0.7365
30	K	A	-1.0829
31	V	A	-0.1931
32	V	A	1.2662
33	G	A	-0.0572
34	P	A	-0.0990
35	C	A	0.3645
36	T	A	0.8124
37	A	A	1.2470
38	Y	A	2.1369
39	F	A	1.7109
40	P	A	0.3759
41	R	A	-0.1151
42	F	A	-0.7764
43	Y	A	0.0000
44	F	A	-1.0604
45	D	A	-1.5131
46	S	A	-1.2608
47	E	A	-2.1481
48	T	A	-1.6860
49	G	A	-1.8335
50	K	A	-2.5458
51	C	A	-1.4450
52	T	A	-0.6372
53	P	A	-0.5595
54	F	A	0.0000
55	I	A	1.4953
56	Y	A	1.0903
57	G	A	0.0000
58	G	A	0.5894
59	C	A	-0.2949
60	E	A	-1.5398
61	G	A	-1.0490
62	N	A	-1.0895
63	G	A	-0.5639
64	N	A	0.0000
65	N	A	-0.7953
66	F	A	0.0000
67	E	A	-1.8370
68	T	A	-1.3231
69	L	A	-0.9585
70	H	A	-1.4452
71	A	A	-1.2296
72	C	A	0.0000
73	R	A	-2.5445
74	A	A	-1.2575
75	I	A	-0.6395
76	C	A	0.0000
77	R	A	-2.4483
78	A	A	-1.9748