Project name: C4mod [mutate: IL52D, FL53D]

Chain sequence(s)	H: QVQLVQSGAEVKKPGASVKVSCKASGSTFGSYAISWVRQAPGQGLEWMGVIIPLDGKTTYAEKFQGRVTITADTSTNTVYMEMSSLRSEDTAMYYCARHRRHYSGTLGYLKFWGQGALVTVSS; L: EIELTQSPATLSLSPGETATLSCRASQSVGINLAWYQQKPGQPPKLLVHSAIFRAAGIPDRFSGRGSGTEFTLTITSLEPEDVGLYYCQQYHDWNSFGQGTKVEIKR
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	IL52D, FL53D
Energy difference between WT (input) and mutated protein (by FoldX)	-0.442719 kcal/mol Changes in protein stability upon mutation are calculated using the FoldX forcefield. Computational prediction of protein stability is used with the intention of preventing the experimental characterization of proteins bearing mutations that significantly destabilize their structure. Mutations resulting in a predicted reduction in protein stability ≥ 1 kcal/mol are considered disruptive.

• Minimal score value: -3.5033
• Maximal score value: 1.0422
• Average score: -0.7968
• Total score value: -183.2745

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	E	L	-3.1856
2	I	L	0.0000
3	E	L	-2.9850
4	L	L	0.0000
5	T	L	-1.6645
6	Q	L	0.0000
7	S	L	-0.8544
8	P	L	-0.3985
9	A	L	-0.5227
10	T	L	-0.6155
11	L	L	-0.5112
12	S	L	-1.1322
13	L	L	-1.1099
14	S	L	-1.5324
15	P	L	-1.5312
16	G	L	-1.3806
17	E	L	-1.4138
18	T	L	-0.8444
19	A	L	0.0000
20	T	L	-0.2368
21	L	L	0.0000
22	S	L	-1.2190
23	C	L	0.0000
24	R	L	-3.0766
25	A	L	0.0000
26	S	L	-2.1938
27	Q	L	-2.6114
28	S	L	-1.7873
29	V	L	0.0000
30	G	L	-0.2940
31	I	L	-0.1035
32	N	L	-0.0820
33	L	L	0.0000
34	A	L	0.0000
35	W	L	0.0000
36	Y	L	0.0000
37	Q	L	0.0000
38	Q	L	0.0000
39	K	L	-1.3137
40	P	L	-1.0832
41	G	L	-1.3557
42	Q	L	-1.8747
43	P	L	-1.2445
44	P	L	0.0000
45	K	L	-1.1390
46	L	L	0.0000
47	L	L	0.0000
48	V	L	0.0000
49	H	L	-1.2895
50	S	L	-1.2097
51	A	L	-2.1501
52	D	L	-3.5033	mutated: IL52D
53	D	L	-3.3773	mutated: FL53D
54	R	L	-2.5675
55	A	L	-1.2778
56	A	L	-0.5692
57	G	L	-0.6999
58	I	L	-0.7882
59	P	L	-1.1731
60	D	L	-2.1265
61	R	L	-1.4043
62	F	L	0.0000
63	S	L	-1.8867
64	G	L	-2.2703
65	R	L	-3.0305
66	G	L	-1.9545
67	S	L	-1.2577
68	G	L	-1.1481
69	T	L	-1.9139
70	E	L	-2.9762
71	F	L	0.0000
72	T	L	-1.6109
73	L	L	0.0000
74	T	L	-0.4771
75	I	L	0.0000
76	T	L	-0.8869
77	S	L	-1.0401
78	L	L	0.0000
79	E	L	-2.1204
80	P	L	-1.7066
81	E	L	-2.2378
82	D	L	0.0000
83	V	L	-0.7631
84	G	L	0.0000
85	L	L	-0.5031
86	Y	L	0.0000
87	Y	L	0.0000
88	C	L	0.0000
89	Q	L	0.0000
90	Q	L	0.0000
91	Y	L	0.0000
92	H	L	-1.8990
93	D	L	-2.6656
94	W	L	-1.3900
95	N	L	-1.1115
97	S	L	-1.1855
98	F	L	-0.5881
99	G	L	0.0000
100	Q	L	-1.6411
101	G	L	0.0000
102	T	L	0.0000
103	K	L	-1.2497
104	V	L	0.0000
105	E	L	-1.4812
106	I	L	-1.2561
107	K	L	-2.6024
108	R	L	-2.6672
1	Q	H	-1.4690
2	V	H	-1.0319
3	Q	H	-1.4393
4	L	H	0.0000
5	V	H	0.1501
6	Q	H	0.0000
7	S	H	-0.4252
8	G	H	-0.4093
9	A	H	0.3391
10	E	H	0.2598
11	V	H	1.0422
12	K	H	-0.9698
13	K	H	-2.1596
14	P	H	-2.1500
15	G	H	-1.4797
16	A	H	-1.1625
17	S	H	-1.2340
18	V	H	0.0000
19	K	H	-1.6465
20	V	H	0.0000
21	S	H	-0.4842
22	C	H	0.0000
23	K	H	-1.0490
24	A	H	0.0000
25	S	H	-0.9944
26	G	H	-1.0241
27	S	H	-0.7634
28	T	H	-0.4474
29	F	H	0.0000
30	G	H	-0.5732
31	S	H	0.0000
32	Y	H	0.0000
33	A	H	0.0000
34	I	H	0.0000
35	S	H	0.0000
36	W	H	0.0000
37	V	H	0.0000
38	R	H	-0.3221
39	Q	H	0.0000
40	A	H	-0.8980
41	P	H	-0.7603
42	G	H	-1.2325
43	Q	H	-1.8359
44	G	H	-1.2930
45	L	H	0.0000
46	E	H	-0.7197
47	W	H	0.0000
48	M	H	0.0000
49	G	H	0.0000
50	V	H	0.0000
51	I	H	0.0000
52	I	H	-0.8069
52A	P	H	-0.7725
53	L	H	-0.4349
54	D	H	-1.3305
55	G	H	-1.4698
56	K	H	-2.0052
57	T	H	-0.9917
58	T	H	-0.5594
59	Y	H	-0.8459
60	A	H	-1.7442
61	E	H	-3.1074
62	K	H	-2.9455
63	F	H	0.0000
64	Q	H	-2.2871
65	G	H	-1.6709
66	R	H	-1.3488
67	V	H	0.0000
68	T	H	-0.7641
69	I	H	0.0000
70	T	H	-0.4841
71	A	H	-0.5228
72	D	H	-1.1080
73	T	H	-0.7034
74	S	H	-0.6408
75	T	H	-0.7680
76	N	H	-1.0804
77	T	H	0.0000
78	V	H	0.0000
79	Y	H	-0.5398
80	M	H	0.0000
81	E	H	-1.3944
82	M	H	0.0000
82A	S	H	-1.0575
82B	S	H	-1.1047
82C	L	H	0.0000
83	R	H	-2.7956
84	S	H	-2.2864
85	E	H	-2.4482
86	D	H	0.0000
87	T	H	-0.7080
88	A	H	0.0000
89	M	H	0.2944
90	Y	H	0.0000
91	Y	H	0.0000
92	C	H	0.0000
93	A	H	0.0000
94	R	H	0.0000
95	H	H	0.0000
96	R	H	-0.8315
97	R	H	-1.1417
98	H	H	-0.5321
99	Y	H	0.5499
100	S	H	-0.1894
100A	G	H	-0.6739
100B	T	H	-0.5419
100C	L	H	-0.3080
100D	G	H	0.0000
100E	Y	H	0.0511
100F	L	H	0.0000
101	K	H	-0.4059
102	F	H	-0.4467
103	W	H	-0.4118
104	G	H	0.0000
105	Q	H	-1.2123
106	G	H	0.0000
107	A	H	0.0000
108	L	H	0.8535
109	V	H	0.0000
110	T	H	-0.1106
111	V	H	0.0000
112	S	H	-1.3093
113	S	H	-1.0438