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

Chain sequence(s)	A: NWTKVISDLKKIEDLIQSMHIDATLYTESDVHPSCKVTAMKCFLLELQVISLESGDASIHDTVENLIILANNSLSSNGNVTESGCKECEELEEKNIKEFLQSFVHIVQMFINTS
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No
Mutated residues	LR45A
Energy difference between WT (input) and mutated protein (by FoldX)	-0.274174 kcal/mol

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                                                       (00:00:38)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:01:15)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:55)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:56)

• Minimal score value: -4.1685
• Maximal score value: 1.0265
• Average score: -1.1786
• Total score value: -134.3656

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	-1.6986
2	W	A	0.0000
3	T	A	-1.1275
4	K	A	-2.2115
5	V	A	0.0000
6	I	A	-1.1870
7	S	A	-1.6418
8	D	A	0.0000
9	L	A	0.0000
10	K	A	-3.2755
11	K	A	-2.9617
12	I	A	0.0000
13	E	A	-3.5016
14	D	A	-3.4042
15	L	A	-1.8536
16	I	A	0.0000
17	Q	A	-2.2371
18	S	A	-1.1698
19	M	A	-1.0632
20	H	A	-1.6665
21	I	A	-1.5822
22	D	A	-2.3233
23	A	A	-1.5547
24	T	A	-1.5595
25	L	A	0.0000
26	Y	A	-2.1400
27	T	A	0.0000
28	E	A	-1.9674
29	S	A	-1.8231
30	D	A	-2.2349
31	V	A	-1.4562
32	H	A	-1.5917
33	P	A	-1.0191
34	S	A	-0.6802
35	C	A	-0.7687
36	K	A	-0.6493
37	V	A	-0.3031
38	T	A	-0.9469
39	A	A	0.0000
40	M	A	0.0000
41	K	A	-1.7282
42	C	A	0.0000
43	F	A	0.0000
44	L	A	0.0000
45	R	A	-1.7203	mutated: LR45A
46	E	A	0.0000
47	L	A	0.0000
48	Q	A	-1.0320
49	V	A	-0.1641
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	-1.2060
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	-0.0360
68	I	A	1.0265
69	L	A	-0.3410
70	A	A	0.0000
71	N	A	-0.5664
72	N	A	-1.2893
73	S	A	-1.1609
74	L	A	0.0000
75	S	A	-1.5248
76	S	A	-1.6140
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	-1.8033
86	K	A	-3.4183
87	E	A	-3.8539
88	C	A	-3.3169
89	E	A	-3.8407
90	E	A	-4.1685
91	L	A	-3.2082
92	E	A	-3.0585
93	E	A	-2.7522
94	K	A	-2.2063
95	N	A	-2.1633
96	I	A	-1.9268
97	K	A	-2.8177
98	E	A	-2.3447
99	F	A	0.0000
100	L	A	0.0000
101	Q	A	-1.8674
102	S	A	0.0000
103	F	A	0.0000
104	V	A	-0.6156
105	H	A	-1.3086
106	I	A	0.0000
107	V	A	0.0000
108	Q	A	-0.9658
109	M	A	-0.6832
110	F	A	0.0000
111	I	A	-0.6215
112	N	A	-1.2363
113	T	A	-0.6970
114	S	A	-0.6404