Project name: e3c7e51e4fd8ee0 [mutate: KI14A]

Chain sequence(s)	A: SAVKALFDYKAQREDELTFTKSAIIQNVEKQDGGWWRGDYGGKKQLWFPSNYVEE
Selected Chain(s)	A
Distance of aggregation	5 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No
Mutated residues	KI14A
Energy difference between WT (input) and mutated protein (by FoldX)	0.0320469 kcal/mol

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:04)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:04)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:04)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:04)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:04)
[INFO]       FoldX:    Building mutant model                                                       (00:00:46)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:57)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:14)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:15)

• Minimal score value: -2.408
• Maximal score value: 2.0116
• Average score: -0.5379
• Total score value: -29.5859

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
5	S	A	-0.3281
6	A	A	-0.1253
7	V	A	0.0000
8	K	A	-0.6347
9	A	A	0.0000
10	L	A	0.5336
11	F	A	0.6183
12	D	A	-1.8030
13	Y	A	0.0000
14	I	A	2.0116	mutated: KI14A
15	A	A	0.1443
16	Q	A	-1.5383
17	R	A	-2.4080
18	E	A	-2.3231
19	D	A	-1.2265
20	E	A	-0.2681
21	L	A	0.0000
22	T	A	0.2116
23	F	A	0.0000
24	T	A	-0.6546
25	K	A	-1.8105
26	S	A	-0.5220
27	A	A	0.0000
28	I	A	1.9094
29	I	A	0.0000
30	Q	A	-1.1219
31	N	A	-1.4139
32	V	A	-0.3465
33	E	A	-1.9702
34	K	A	-2.0699
35	Q	A	-1.0058
36	D	A	-1.9434
37	G	A	-0.8625
38	G	A	-0.3327
39	W	A	0.3366
40	W	A	-0.0526
41	R	A	-0.3831
42	G	A	0.0000
43	D	A	-0.4801
44	Y	A	0.2375
45	G	A	-0.4843
46	G	A	-0.6681
47	K	A	-1.0331
48	K	A	-1.8979
49	Q	A	-0.5984
50	L	A	0.1480
51	W	A	0.2456
52	F	A	0.0000
53	P	A	0.0000
54	S	A	-0.2683
55	N	A	-1.2175
56	Y	A	0.1080
57	V	A	0.0000
58	E	A	-2.1490
59	E	A	-2.1490