Project name: JFL1

Chain sequence(s)	A: KKFVVVVVNEADAEANIAINKALYAELGYEVEVFVTSLEDLLEKMKEAADLAAEKLPEYDEVGLAISTTDHVISEEDANEITEYLASKFKEVVA
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                                          (00:00:53)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:53)

• Minimal score value: -3.6661
• Maximal score value: 1.7643
• Average score: -1.1086
• Total score value: -104.2128

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	-3.4609
2	K	A	-3.0505
3	F	A	0.0000
4	V	A	0.0000
5	V	A	0.0000
6	V	A	0.0000
7	V	A	0.0000
8	V	A	0.0000
9	N	A	0.0000
10	E	A	-2.2660
11	A	A	-2.2682
12	D	A	-3.0214
13	A	A	0.0000
14	E	A	-2.1997
15	A	A	-0.8615
16	N	A	-0.7181
17	I	A	0.0612
18	A	A	0.4845
19	I	A	1.7643
20	N	A	0.7160
21	K	A	-0.2244
22	A	A	0.4915
23	L	A	0.7228
24	Y	A	-0.2271
25	A	A	-0.6749
26	E	A	-1.2668
27	L	A	-0.3050
28	G	A	-1.2271
29	Y	A	-1.7863
30	E	A	-2.3629
31	V	A	-1.3574
32	E	A	-1.0882
33	V	A	0.1778
34	F	A	0.0687
35	V	A	0.0703
36	T	A	0.0000
37	S	A	-1.1304
38	L	A	-0.9835
39	E	A	-2.3991
40	D	A	-2.6247
41	L	A	0.0000
42	L	A	-1.9316
43	E	A	-3.1638
44	K	A	-2.5981
45	M	A	0.0000
46	K	A	-2.2153
47	E	A	-2.7402
48	A	A	0.0000
49	A	A	0.0000
50	D	A	-1.8151
51	L	A	-1.4183
52	A	A	0.0000
53	A	A	0.0000
54	E	A	-2.2553
55	K	A	-2.2497
56	L	A	-1.4751
57	P	A	-1.4875
58	E	A	-3.0912
59	Y	A	-3.2193
60	D	A	-3.3843
61	E	A	-2.7585
62	V	A	-1.7172
63	G	A	-0.2138
64	L	A	0.4052
65	A	A	0.3577
66	I	A	0.6193
67	S	A	0.1781
68	T	A	-0.4062
69	T	A	-1.3259
70	D	A	-1.7199
71	H	A	-0.1698
72	V	A	1.1973
73	I	A	0.4064
74	S	A	-1.3116
75	E	A	-3.0731
76	E	A	-3.6661
77	D	A	-2.6210
78	A	A	-2.3477
79	N	A	-3.5480
80	E	A	-3.2742
81	I	A	0.0000
82	T	A	-1.8867
83	E	A	-2.4623
84	Y	A	-1.4483
85	L	A	-1.2026
86	A	A	-1.2342
87	S	A	-1.4038
88	K	A	-1.6908
89	F	A	-0.9593
90	K	A	-1.7197
91	E	A	-1.8504
92	V	A	-0.3525
93	V	A	0.9764
94	A	A	0.0022