Project name: IL-21 [mutate: QC19A] [mutate: SC70A]

Chain sequence(s)	A: QGQDRHMIRMRQLIDIVDCLKNYVNDLVPEFLPAPEDVETNCEWSAFSCFQKAQLKSANTGNNERIINVSIKKLKRKPPSTNAGRRQKHRLTCPSCDSYEKKPPKEFLERFKSLLQKMIHQHLSSRTHGSEDS
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No
Mutated residues	SC70A
Energy difference between WT (input) and mutated protein (by FoldX)	-0.31778 kcal/mol

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                                                       (00:02:31)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:02:34)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:04:39)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:39)

• Minimal score value: -4.0148
• Maximal score value: 0.1772
• Average score: -1.4941
• Total score value: -198.7089

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	-2.3956
2	G	A	-2.4925
3	Q	A	-2.5255
4	D	A	-2.8574
5	R	A	-2.5932
6	H	A	0.0000
7	M	A	-0.7728
8	I	A	0.0011
9	R	A	-1.1377
10	M	A	0.0000
11	R	A	-1.9910
12	Q	A	-1.7803
13	L	A	0.0000
14	I	A	-2.1498
15	D	A	-2.7087
16	I	A	0.0000
17	V	A	0.0000
18	D	A	-2.0940
19	C	A	-1.0321
20	L	A	0.0000
21	K	A	-2.5637
22	N	A	-1.9894
23	Y	A	-1.3462
24	V	A	-1.5162
25	N	A	-1.9009
26	D	A	-1.7297
27	L	A	0.0000
28	V	A	-1.1927
29	P	A	-1.2321
30	E	A	-1.4164
31	F	A	0.0234
32	L	A	0.0000
33	P	A	-1.6978
34	A	A	0.0000
35	P	A	0.0000
36	E	A	-3.1036
37	D	A	-3.0474
38	V	A	-2.3615
39	E	A	-2.7601
40	T	A	-1.6596
41	N	A	-1.5492
42	C	A	0.0000
43	E	A	0.0000
44	W	A	0.1772
45	S	A	-0.0423
46	A	A	0.0000
47	F	A	0.0000
48	S	A	-0.9774
49	C	A	0.0000
50	F	A	0.0000
51	Q	A	-2.3067
52	K	A	-2.4019
53	A	A	0.0000
54	Q	A	-2.1445
55	L	A	0.0000
56	K	A	-2.5472
57	S	A	-1.9125
58	A	A	-1.4804
59	N	A	-2.2094
60	T	A	-1.6240
61	G	A	-2.0908
62	N	A	-2.2836
63	N	A	-2.0333
64	E	A	-2.5716
65	R	A	-2.3464
66	I	A	-0.6872
67	I	A	0.0000
68	N	A	-1.5426
69	V	A	-0.6197
70	C	A	-0.9009	mutated: SC70A
71	I	A	0.0000
72	K	A	-2.4046
73	K	A	-2.5809
74	L	A	0.0000
75	K	A	-3.2879
76	R	A	-3.8402
77	K	A	-3.0027
78	P	A	0.0000
79	P	A	-1.4483
80	S	A	-1.2481
81	T	A	-1.6682
82	N	A	-2.1666
83	A	A	-1.8222
84	G	A	-2.4437
85	R	A	-3.7181
86	R	A	-4.0148
87	Q	A	-3.8700
88	K	A	-3.8232
89	H	A	-3.0870
90	R	A	-2.6633
91	L	A	-1.2831
92	T	A	-0.5574
93	C	A	-0.5060
94	P	A	-0.6021
95	S	A	-0.8353
96	C	A	-1.5075
97	D	A	-2.3297
98	S	A	-1.6716
99	Y	A	0.0000
100	E	A	-2.5543
101	K	A	-1.5969
102	K	A	-1.1828
103	P	A	-0.7924
104	P	A	0.0000
105	K	A	-2.8036
106	E	A	-2.2504
107	F	A	0.0000
108	L	A	0.0000
109	E	A	-3.0003
110	R	A	-2.4321
111	F	A	0.0000
112	K	A	-2.0809
113	S	A	-1.7406
114	L	A	0.0000
115	L	A	0.0000
116	Q	A	-1.6140
117	K	A	-1.4461
118	M	A	0.0000
119	I	A	0.0000
120	H	A	-1.4747
121	Q	A	-1.4364
122	H	A	-1.1129
123	L	A	-0.8401
124	S	A	-1.3278
125	S	A	-1.7468
126	R	A	-2.6033
127	T	A	-1.9456
128	H	A	-2.6670
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