Project name: IL15 [mutate: NK4A, VT3A] [mutate: LR45A] [mutate: IT111A]

Chain sequence(s)	A: NWTKVISDLKKIEDLIQSMHIDATLYTESDVHPSCKVTAMKCFLRELQVISLESGDASIHDTVENLIILANNSLSSNGNVTESGCKECEELEEKNIKEFLQSFVHIVQMFINTS
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No
Mutated residues	IT111A
Energy difference between WT (input) and mutated protein (by FoldX)	1.44116 kcal/mol CAUTION: Your mutation/s can destabilize the protein structure

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]       FoldX:    Building mutant model                                                       (00:00:41)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:47)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:30)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:30)

• Minimal score value: -4.1666
• Maximal score value: 1.0258
• Average score: -1.1973
• Total score value: -136.4894

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	N	A	-1.7640
2	W	A	0.0000
3	T	A	-1.2438
4	K	A	-2.2085
5	V	A	0.0000
6	I	A	-1.1953
7	S	A	-1.6370
8	D	A	0.0000
9	L	A	0.0000
10	K	A	-3.2760
11	K	A	-2.9590
12	I	A	0.0000
13	E	A	-3.5160
14	D	A	-3.4099
15	L	A	-1.8568
16	I	A	0.0000
17	Q	A	-2.2411
18	S	A	-1.1716
19	M	A	-1.0632
20	H	A	-1.6665
21	I	A	-1.5817
22	D	A	-2.3227
23	A	A	-1.5522
24	T	A	-1.5536
25	L	A	0.0000
26	Y	A	-2.1390
27	T	A	0.0000
28	E	A	-1.9647
29	S	A	-1.8216
30	D	A	-2.2343
31	V	A	-1.4549
32	H	A	-1.5911
33	P	A	-1.0186
34	S	A	-0.6800
35	C	A	-0.7685
36	K	A	-0.6479
37	V	A	-0.3013
38	T	A	-0.9445
39	A	A	0.0000
40	M	A	0.0000
41	K	A	-1.7293
42	C	A	0.0000
43	F	A	0.0000
44	L	A	0.0000
45	R	A	-1.7473
46	E	A	0.0000
47	L	A	0.0000
48	Q	A	-1.0412
49	V	A	-0.1698
50	I	A	0.0000
51	S	A	0.0000
52	L	A	0.3020
53	E	A	-1.6673
54	S	A	-1.1751
55	G	A	-0.8865
56	D	A	-1.1138
57	A	A	-0.9181
58	S	A	-1.2052
59	I	A	0.0000
60	H	A	-2.0710
61	D	A	-2.8912
62	T	A	0.0000
63	V	A	0.0000
64	E	A	-2.0322
65	N	A	-1.3265
66	L	A	0.0000
67	I	A	-0.0395
68	I	A	1.0258
69	L	A	-0.3416
70	A	A	0.0000
71	N	A	-0.5675
72	N	A	-1.2903
73	S	A	-1.1615
74	L	A	0.0000
75	S	A	-1.5254
76	S	A	-1.6143
77	N	A	-1.9365
78	G	A	-1.5893
79	N	A	-1.5063
80	V	A	-0.3469
81	T	A	-0.2642
82	E	A	-0.5300
83	S	A	-0.7322
84	G	A	-1.2090
85	C	A	-1.8031
86	K	A	-3.4179
87	E	A	-3.8528
88	C	A	-3.3181
89	E	A	-3.8387
90	E	A	-4.1666
91	L	A	-3.2048
92	E	A	-3.0532
93	E	A	-2.7399
94	K	A	-2.1970
95	N	A	-2.1542
96	I	A	-1.9232
97	K	A	-2.8152
98	E	A	-2.3341
99	F	A	0.0000
100	L	A	0.0000
101	Q	A	-1.8665
102	S	A	0.0000
103	F	A	0.0000
104	V	A	-0.6449
105	H	A	-1.4048
106	I	A	0.0000
107	V	A	0.0000
108	Q	A	-1.2893
109	M	A	-0.9129
110	F	A	0.0000
111	T	A	-1.2193	mutated: IT111A
112	N	A	-1.5361
113	T	A	-0.8829
114	S	A	-0.8274