Project name: IL15 [mutate: NK4A, VT3A]

Chain sequence(s)	A: NWVNVISDLKKIEDLIQSMHIDATLYTESDVHPSCKVTAMKCFLLELQVISLESGDASIHDTVENLIILANNSLSSNGNVTESGCKECEELEEKNIKEFLQSFVHIVQMFINTS
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No
Mutated residues	VT3A,NK4A
Energy difference between WT (input) and mutated protein (by FoldX)	-1.35555 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                                                       (00:00:50)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:01:05)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:42)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:43)

• Minimal score value: -4.1609
• Maximal score value: 1.1304
• Average score: -1.1121
• Total score value: -126.7758

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	-1.7011
2	W	A	0.0000
3	T	A	-1.1306	mutated: VT3A
4	K	A	-2.2195	mutated: NK4A
5	V	A	0.0000
6	I	A	-1.1874
7	S	A	-1.6418
8	D	A	0.0000
9	L	A	0.0000
10	K	A	-3.2694
11	K	A	-2.9559
12	I	A	0.0000
13	E	A	-3.4848
14	D	A	-3.3964
15	L	A	-1.8486
16	I	A	0.0000
17	Q	A	-2.2332
18	S	A	-1.1681
19	M	A	-1.0632
20	H	A	-1.6665
21	I	A	-1.5677
22	D	A	-2.3247
23	A	A	-1.5306
24	T	A	-1.5362
25	L	A	0.0000
26	Y	A	-1.7686
27	T	A	0.0000
28	E	A	-1.9593
29	S	A	-1.8192
30	D	A	-2.2355
31	V	A	-1.4576
32	H	A	-1.5922
33	P	A	-1.0197
34	S	A	-0.6803
35	C	A	-0.7690
36	K	A	-0.6015
37	V	A	-0.2149
38	T	A	-0.8311
39	A	A	0.0000
40	M	A	0.0000
41	K	A	-0.7050
42	C	A	0.0000
43	F	A	0.0000
44	L	A	0.0000
45	L	A	1.1304
46	E	A	0.0000
47	L	A	0.0000
48	Q	A	0.0146
49	V	A	0.5839
50	I	A	0.0000
51	S	A	0.0000
52	L	A	0.3849
53	E	A	-1.6093
54	S	A	-1.1406
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	-2.0539
61	D	A	-2.8922
62	T	A	0.0000
63	V	A	0.0000
64	E	A	-2.0170
65	N	A	-1.3311
66	L	A	0.0000
67	I	A	0.3598
68	I	A	1.0251
69	L	A	-0.3442
70	A	A	0.0000
71	N	A	-0.5217
72	N	A	-1.2895
73	S	A	-1.1598
74	L	A	0.0000
75	S	A	-1.5248
76	S	A	-1.6137
77	N	A	-1.9361
78	G	A	-1.5891
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	-1.8027
86	K	A	-3.4170
87	E	A	-3.8138
88	C	A	-2.8732
89	E	A	-3.8293
90	E	A	-4.1609
91	L	A	-3.1958
92	E	A	-3.0462
93	E	A	-2.7353
94	K	A	-2.2013
95	N	A	-2.1670
96	I	A	-1.9237
97	K	A	-2.8151
98	E	A	-2.3420
99	F	A	0.0000
100	L	A	0.0000
101	Q	A	-1.8609
102	S	A	0.0000
103	F	A	0.0000
104	V	A	-0.6160
105	H	A	-1.3090
106	I	A	0.0000
107	V	A	0.0000
108	Q	A	-0.9669
109	M	A	-0.6855
110	F	A	0.0000
111	I	A	-0.6221
112	N	A	-1.2370
113	T	A	-0.6975
114	S	A	-0.6407