Project name: 812598b00fa6de5 [mutate: EA30A]

Chain sequence(s)	A: LKHSISDYTEAEFLQLVTTICNADTSSEEELVKLVTHFEEMTEHPSGSALIYYPKEGDDDSPSGIVNTVKQWRAANGKSGFKQ
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No
Mutated residues	EA30A
Energy difference between WT (input) and mutated protein (by FoldX)	0.731505 kcal/mol

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:02)
[INFO]       FoldX:    Building mutant model                                                       (00:00:45)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:55)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:28)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:29)

• Minimal score value: -3.7668
• Maximal score value: 0.935
• Average score: -1.2342
• Total score value: -102.4388

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
3	L	A	0.2788
4	K	A	-1.7039
5	H	A	-1.7884
6	S	A	-1.5942
7	I	A	0.0000
8	S	A	-1.3875
9	D	A	-1.4522
10	Y	A	-1.4815
11	T	A	-1.9662
12	E	A	-2.5581
13	A	A	-1.5584
14	E	A	-2.1012
15	F	A	0.0000
16	L	A	-1.1027
17	Q	A	-1.5921
18	L	A	-0.6343
19	V	A	0.0000
20	T	A	-0.9911
21	T	A	-1.1107
22	I	A	0.0000
23	C	A	-0.7045
24	N	A	-1.7240
25	A	A	-1.2164
26	D	A	-2.2932
27	T	A	-1.3962
28	S	A	-1.0596
29	S	A	-1.0122
30	A	A	-1.0326	mutated: EA30A
31	E	A	-1.9958
32	E	A	-1.9090
33	L	A	-0.7735
34	V	A	0.3119
35	K	A	-1.3907
36	L	A	-0.5475
37	V	A	-0.2872
38	T	A	-0.7470
39	H	A	-1.4048
40	F	A	0.0000
41	E	A	-2.2585
42	E	A	-2.9423
43	M	A	0.0000
44	T	A	0.0000
45	E	A	-2.8400
46	H	A	-1.6435
47	P	A	-0.9022
48	S	A	-0.6463
49	G	A	-0.8874
50	S	A	0.2978
51	A	A	0.3491
52	L	A	0.0000
53	I	A	0.0000
54	Y	A	0.9350
55	Y	A	0.6716
56	P	A	-1.5905
57	K	A	-3.0535
58	E	A	-3.1987
59	G	A	-2.8206
60	D	A	-3.3754
61	D	A	-3.7668
62	D	A	-2.8494
63	S	A	-1.6764
64	P	A	-1.1908
65	S	A	-1.1653
66	G	A	0.0000
67	I	A	0.0000
68	V	A	0.0000
69	N	A	-2.5071
70	T	A	-1.8982
71	V	A	0.0000
72	K	A	-2.4738
73	Q	A	-2.1115
74	W	A	-1.5006
75	R	A	0.0000
76	A	A	-1.3110
77	A	A	-0.9733
78	N	A	-1.3440
79	G	A	-1.2981
80	K	A	-1.8550
81	S	A	-1.2708
82	G	A	-1.6880
83	F	A	-1.5864
84	K	A	-2.1636
85	Q	A	-1.9773