Project name: JFL2

Chain sequence(s)	A: KVYVSYSVFAAIGETEPQTVRFENAQGVEREATISNGEVVGFVVVSTEDGEVLEVEERHIQVPESETRAAQAALTEELKKKVLERYKEYQ
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                                          (00:01:25)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:25)

• Minimal score value: -3.7208
• Maximal score value: 0.7096
• Average score: -1.4107
• Total score value: -126.9635

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	K	A	-2.1905
2	V	A	-1.2926
3	Y	A	0.1619
4	V	A	0.0000
5	S	A	0.0178
6	Y	A	-0.2321
7	S	A	-0.3630
8	V	A	0.3007
9	F	A	0.1946
10	A	A	-0.0407
11	A	A	0.0000
12	I	A	-0.7596
13	G	A	-1.1335
14	E	A	-2.0206
15	T	A	-1.6813
16	E	A	-2.6473
17	P	A	-1.9444
18	Q	A	-1.9353
19	T	A	-1.5298
20	V	A	-1.5659
21	R	A	-3.5202
22	F	A	-2.7244
23	E	A	-3.3673
24	N	A	0.0000
25	A	A	-0.8631
26	Q	A	-1.7017
27	G	A	-1.8560
28	V	A	-1.7079
29	E	A	-3.7208
30	R	A	-3.6236
31	E	A	-3.6109
32	A	A	0.0000
33	T	A	-1.3362
34	I	A	0.0000
35	S	A	-1.4958
36	N	A	-1.7282
37	G	A	0.0000
38	E	A	-1.4278
39	V	A	0.0000
40	V	A	0.0000
41	G	A	0.0000
42	F	A	0.0000
43	V	A	0.0000
44	V	A	0.0000
45	V	A	0.0000
46	S	A	0.0000
47	T	A	-1.8801
48	E	A	-3.0728
49	D	A	-3.2767
50	G	A	-2.0284
51	E	A	-2.0819
52	V	A	0.1067
53	L	A	0.7096
54	E	A	-0.0195
55	V	A	-0.0648
56	E	A	-1.2298
57	E	A	-1.7932
58	R	A	-1.4725
59	H	A	-1.2929
60	I	A	-0.7541
61	Q	A	-1.6095
62	V	A	-1.6177
63	P	A	-1.5206
64	E	A	-2.4152
65	S	A	-1.8881
66	E	A	-2.8516
67	T	A	0.0000
68	R	A	-2.5609
69	A	A	-1.5051
70	A	A	-1.6069
71	Q	A	-1.4245
72	A	A	-1.1460
73	A	A	-1.2669
74	L	A	0.0000
75	T	A	-1.7245
76	E	A	-3.2066
77	E	A	-2.8320
78	L	A	0.0000
79	K	A	-3.0508
80	K	A	-3.3457
81	K	A	-2.5685
82	V	A	-1.6697
83	L	A	-1.3591
84	E	A	-3.0427
85	R	A	-2.4322
86	Y	A	-1.5243
87	K	A	-2.9382
88	E	A	-2.8773
89	Y	A	-1.4344
90	Q	A	-2.0486