Project name: IL-21 [mutate: QC19A]

Chain sequence(s)	A: QGQDRHMIRMRQLIDIVDQLKNYVNDLVPEFLPAPEDVETNCEWSAFSCFQKAQLKSANTGNNERIINVSIKKLKRKPPSTNAGRRQKHRLTCPSCDSYEKKPPKEFLERFKSLLQKMIHQHLSSRTHGSEDS
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No
Mutated residues	QC19A
Energy difference between WT (input) and mutated protein (by FoldX)	1.25047 kcal/mol CAUTION: Your mutation/s can destabilize the protein structure

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       FoldX:    Building mutant model                                                       (00:06:22)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:06:31)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:08:46)
[INFO]       Main:     Simulation completed successfully.                                          (00:08:47)

• Minimal score value: -4.0148
• Maximal score value: 0.1748
• Average score: -1.491
• Total score value: -198.297

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	Q	A	-2.3931
2	G	A	-2.4884
3	Q	A	-2.5183
4	D	A	-2.8539
5	R	A	-2.5909
6	H	A	0.0000
7	M	A	-0.7703
8	I	A	0.0012
9	R	A	-1.1383
10	M	A	0.0000
11	R	A	-1.9922
12	Q	A	-1.7885
13	L	A	0.0000
14	I	A	-2.1412
15	D	A	-2.6994
16	I	A	0.0000
17	V	A	0.0000
18	D	A	-2.0552
19	C	A	-0.9828	mutated: QC19A
20	L	A	0.0000
21	K	A	-2.5286
22	N	A	-1.9617
23	Y	A	-1.3299
24	V	A	-1.5049
25	N	A	-1.8974
26	D	A	-1.7374
27	L	A	0.0000
28	V	A	-1.2210
29	P	A	-1.2542
30	E	A	-1.4530
31	F	A	0.0039
32	L	A	0.0000
33	P	A	-1.7016
34	A	A	0.0000
35	P	A	0.0000
36	E	A	-3.1038
37	D	A	-3.0474
38	V	A	-2.3579
39	E	A	-2.7604
40	T	A	-1.6621
41	N	A	-1.5543
42	C	A	0.0000
43	E	A	0.0000
44	W	A	0.1748
45	S	A	-0.0433
46	A	A	0.0000
47	F	A	0.0000
48	S	A	-0.9771
49	C	A	0.0000
50	F	A	0.0000
51	Q	A	-2.3121
52	K	A	-2.4002
53	A	A	0.0000
54	Q	A	-2.1618
55	L	A	0.0000
56	K	A	-2.6074
57	S	A	-1.9446
58	A	A	-1.5006
59	N	A	-2.2216
60	T	A	-1.6295
61	G	A	-2.0964
62	N	A	-2.2889
63	N	A	-2.0433
64	E	A	-2.6036
65	R	A	-2.3658
66	I	A	-0.7078
67	I	A	0.0000
68	N	A	-1.5958
69	V	A	-0.6720
70	S	A	0.0000
71	I	A	0.0000
72	K	A	-2.4746
73	K	A	-2.6617
74	L	A	0.0000
75	K	A	-3.3134
76	R	A	-3.8575
77	K	A	-3.0079
78	P	A	0.0000
79	P	A	-1.4478
80	S	A	-1.2473
81	T	A	-1.6663
82	N	A	-2.1654
83	A	A	-1.8214
84	G	A	-2.4437
85	R	A	-3.7181
86	R	A	-4.0148
87	Q	A	-3.8731
88	K	A	-3.8278
89	H	A	-3.0957
90	R	A	-2.6770
91	L	A	-1.3108
92	T	A	-0.5710
93	C	A	-0.5138
94	P	A	-0.6067
95	S	A	-0.8347
96	C	A	-1.5045
97	D	A	-2.3286
98	S	A	-1.6714
99	Y	A	0.0000
100	E	A	-2.5543
101	K	A	-1.6060
102	K	A	-1.1995
103	P	A	-0.8128
104	P	A	0.0000
105	K	A	-2.8175
106	E	A	-2.2881
107	F	A	0.0000
108	L	A	0.0000
109	E	A	-3.0110
110	R	A	-2.4426
111	F	A	0.0000
112	K	A	-2.0778
113	S	A	-1.7296
114	L	A	0.0000
115	L	A	0.0000
116	Q	A	-1.5921
117	K	A	-1.4044
118	M	A	0.0000
119	I	A	0.0000
120	H	A	-1.4546
121	Q	A	-1.4176
122	H	A	-1.0988
123	L	A	-0.8243
124	S	A	-1.3211
125	S	A	-1.7422
126	R	A	-2.5992
127	T	A	-1.9432
128	H	A	-2.6657
129	G	A	-2.7674
130	S	A	-2.6000
131	E	A	-3.4315
132	D	A	-3.0901
133	S	A	-1.6706