Project name: NaV17_HW1_111_3

Chain sequence(s)	A: EEMDETYDKLVRAFNFVVGMVIFVLLIRLFASIKDGNTKLAIIYTLLILALLVGLIAINLR
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]                                                (00:00:09)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:09)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:09)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:09)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:09)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:26)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:27)

• Minimal score value: -3.8786
• Maximal score value: 3.7097
• Average score: 0.8112
• Total score value: 49.486

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	E	A	-3.4169
2	E	A	-3.1910
3	M	A	-1.9160
4	D	A	-3.4719
5	E	A	-3.8786
6	T	A	-2.1457
7	Y	A	-1.0905
8	D	A	-2.6413
9	K	A	-2.3083
10	L	A	0.1187
11	V	A	0.1918
12	R	A	-0.4393
13	A	A	1.2044
14	F	A	2.5785
15	N	A	2.0497
16	F	A	3.3393
17	V	A	3.7097
18	V	A	0.0000
19	G	A	2.7376
20	M	A	3.4117
21	V	A	2.8624
22	I	A	0.0000
23	F	A	3.4736
24	V	A	2.9245
25	L	A	2.2997
26	L	A	2.6487
27	I	A	2.7359
28	R	A	0.8806
29	L	A	1.9819
30	F	A	2.2760
31	A	A	0.3825
32	S	A	0.0000
33	I	A	0.9576
34	K	A	-1.4905
35	D	A	-2.1003
36	G	A	-1.5173
37	N	A	-1.4755
38	T	A	-0.5806
39	K	A	-0.7527
40	L	A	0.3644
41	A	A	1.2680
42	I	A	2.4433
43	I	A	2.4996
44	Y	A	2.2499
45	T	A	2.1659
46	L	A	3.2763
47	L	A	2.7274
48	I	A	0.0000
49	L	A	2.9824
50	A	A	2.2610
51	L	A	2.2859
52	L	A	2.8114
53	V	A	3.1070
54	G	A	1.6970
55	L	A	2.2963
56	I	A	2.5653
57	A	A	1.4608
58	I	A	0.9993
59	N	A	-0.1953
60	L	A	0.9050
61	R	A	-1.0333