Project name: query_structure

Chain sequence(s)	A: MKGTFLICLILIAGFSFKSTQAGSICLEPKVVGPCTAYFRRFYFDSETGKCTVFIYGGCEGNGNNFETLRACRAICRA
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                                          (00:00:32)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:33)

• Minimal score value: -2.8251
• Maximal score value: 4.8028
• Average score: 0.0568
• Total score value: 4.4327

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	0.0660
2	K	A	-1.4258
3	G	A	-0.5076
4	T	A	1.2447
5	F	A	3.2774
6	L	A	4.1119
7	I	A	4.6877
8	C	A	4.2364
9	L	A	4.4834
10	I	A	4.8028
11	L	A	4.3928
12	I	A	3.9475
13	A	A	2.3548
14	G	A	1.7808
15	F	A	2.5797
16	S	A	1.1575
17	F	A	1.4786
18	K	A	-0.8474
19	S	A	-0.8686
20	T	A	-0.9690
21	Q	A	-1.5245
22	A	A	-0.6013
23	G	A	-0.5586
24	S	A	-0.1868
25	I	A	0.2462
26	C	A	0.0000
27	L	A	0.7835
28	E	A	-0.2686
29	P	A	-0.6459
30	K	A	-0.8679
31	V	A	-0.0675
32	V	A	1.3540
33	G	A	-0.0212
34	P	A	-0.0698
35	C	A	0.3815
36	T	A	0.8051
37	A	A	1.0649
38	Y	A	1.7649
39	F	A	0.9893
40	R	A	-0.9952
41	R	A	-0.7059
42	F	A	-0.8727
43	Y	A	0.0000
44	F	A	-0.9490
45	D	A	-1.4203
46	S	A	-1.3177
47	E	A	-2.1836
48	T	A	-1.7274
49	G	A	-1.9029
50	K	A	-2.4948
51	C	A	-1.3804
52	T	A	-0.1792
53	V	A	0.0095
54	F	A	0.0000
55	I	A	0.9983
56	Y	A	0.7867
57	G	A	0.0000
58	G	A	0.3089
59	C	A	-0.3200
60	E	A	-1.5321
61	G	A	-1.0081
62	N	A	-1.0509
63	G	A	-0.5437
64	N	A	0.0000
65	N	A	-0.8364
66	F	A	0.0000
67	E	A	-2.1483
68	T	A	-1.7308
69	L	A	-1.2968
70	R	A	-2.3343
71	A	A	-1.6683
72	C	A	0.0000
73	R	A	-2.8251
74	A	A	-1.5161
75	I	A	-0.7409
76	C	A	0.0000
77	R	A	-2.4395
78	A	A	-2.1112