Project name: hIL15(49-162) [mutate: VT3A, ER93A, IT111A, DK8A, IK67A, IR68A] [mutate: LR45A, LR52A, VT80A]

Chain sequence(s)	A: NWTNVISKLKKIEDLIQSMHIDATLYTESDVHPSCKVTAMKCFLLELQVISLESGDASIHDTVENLKRLANNSLSSNGNVTESGCKECEELERKNIKEFLQSFVHIVQMFTNTS
Selected Chain(s)	A
Distance of aggregation	5 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No
Mutated residues	VT80A,LR45A,LR52A
Energy difference between WT (input) and mutated protein (by FoldX)	0.412272 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                                                       (00:00:45)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:02:11)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:03:02)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:02)

• Minimal score value: -2.1733
• Maximal score value: 0.2914
• Average score: -0.5827
• Total score value: -66.4251

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	-1.2730
2	W	A	0.0000
3	T	A	-0.1751
4	N	A	-0.6027
5	V	A	0.0000
6	I	A	0.2914
7	S	A	-0.1549
8	K	A	-0.4225
9	L	A	0.0000
10	K	A	-2.0165
11	K	A	-1.4657
12	I	A	0.0000
13	E	A	-1.5531
14	D	A	-1.9136
15	L	A	0.0413
16	I	A	0.0000
17	Q	A	-1.2367
18	S	A	-0.3835
19	M	A	0.0301
20	H	A	-0.8965
21	I	A	-0.2455
22	D	A	-1.7413
23	A	A	-0.3270
24	T	A	-0.1343
25	L	A	0.0000
26	Y	A	-0.0470
27	T	A	0.0000
28	E	A	-0.2405
29	S	A	-0.5434
30	D	A	-1.7811
31	V	A	-0.2833
32	H	A	-0.9931
33	P	A	-0.4668
34	S	A	-0.2395
35	C	A	0.0182
36	K	A	-0.2006
37	V	A	0.2240
38	T	A	0.0278
39	A	A	0.0000
40	M	A	0.0000
41	K	A	-1.1991
42	C	A	0.0000
43	F	A	0.0000
44	L	A	0.0000
45	R	A	-1.6358	mutated: LR45A
46	E	A	0.0000
47	L	A	0.0000
48	Q	A	-0.4159
49	V	A	0.1995
50	I	A	0.0000
51	S	A	0.0000
52	R	A	-2.1733	mutated: LR52A
53	E	A	-2.1591
54	S	A	-0.4441
55	G	A	-0.5624
56	D	A	-0.5796
57	A	A	-0.1373
58	S	A	-0.1220
59	I	A	0.0000
60	H	A	-1.0706
61	D	A	-1.9251
62	T	A	0.0000
63	V	A	0.0000
64	E	A	-1.8708
65	N	A	-0.6107
66	L	A	0.0000
67	K	A	-0.8117
68	R	A	-1.5343
69	L	A	-0.0944
70	A	A	0.0000
71	N	A	-0.5796
72	N	A	-1.3420
73	S	A	-0.2333
74	L	A	0.1050
75	S	A	-0.2241
76	S	A	-0.4782
77	N	A	-1.3945
78	G	A	-0.9266
79	N	A	-1.3651
80	T	A	-0.2834	mutated: VT80A
81	T	A	-0.1392
82	E	A	-0.3875
83	S	A	-0.3578
84	G	A	-0.4785
85	C	A	-0.2493
86	K	A	-2.0100
87	E	A	-2.1196
88	C	A	-0.5732
89	E	A	-2.1277
90	E	A	-2.1128
91	L	A	-0.4977
92	E	A	-2.0178
93	R	A	-1.6298
94	K	A	-0.7652
95	N	A	-0.9123
96	I	A	-0.2600
97	K	A	-1.8040
98	E	A	-1.0860
99	F	A	0.0000
100	L	A	0.0000
101	Q	A	-0.7776
102	S	A	0.0000
103	F	A	0.0000
104	V	A	0.2191
105	H	A	-0.9185
106	I	A	0.0000
107	V	A	0.0000
108	Q	A	-0.7191
109	M	A	0.0479
110	F	A	0.0000
111	T	A	-0.3255
112	N	A	-1.2889
113	T	A	-0.3357
114	S	A	-0.2255