Project name: WEI4-1 [mutate: LL11I]

Chain sequence(s)	H: VQLQESGPGLVKPSQSLSLTCTVTGYSITTDYAWNWIRQFPGNKLECMGYINYSGSTSFNPSLKSRISITRDTSKNQFFLQLNSVTTEDTATYYCARWDYGRGGSYAMDYWGQGTSVTVSS; L: IVLTQSPASLAVSLGQRATISCRASESVDSYGNSFMHWYQQKPGQPPKLLIYLASNLESGVPARFSGSGSRTDFTLTIDPVEADDAATYYCQQNNEDPWTFGGGTKLEIK
Distance of aggregation	5 Å
Dynamic mode	No
Mutated residues	LL11I
Energy difference between WT (input) and mutated protein (by FoldX)	0.0848941 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: -2.1089
• Maximal score value: 1.8741
• Average score: -0.2443
• Total score value: -56.4274

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
2	I	L	0.8790
3	V	L	1.8741
4	L	L	0.0000
5	T	L	-0.0910
6	Q	L	-0.1763
7	S	L	-0.2260
8	P	L	-0.1216
9	A	L	0.0049
10	S	L	-0.3009
11	I	L	0.4630	mutated: LL11I
12	A	L	-0.0964
13	V	L	0.0000
14	S	L	-0.0243
15	L	L	1.4457
16	G	L	-0.3716
17	Q	L	-1.4376
18	R	L	-2.1089
19	A	L	0.0000
20	T	L	-0.0548
21	I	L	0.0000
22	S	L	-0.0807
23	C	L	0.0000
24	R	L	-1.9348
25	A	L	0.0000
26	S	L	-0.5482
27	E	L	-1.8705
28	S	L	-0.6006
29	V	L	0.0000
30	D	L	-0.9624
30A	S	L	0.0149
30B	Y	L	1.2203
30C	G	L	-0.3360
30D	N	L	-0.6867
31	S	L	0.0000
32	F	L	0.1961
33	M	L	0.0000
34	H	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	-0.4670
40	P	L	-0.4171
41	G	L	-0.7189
42	Q	L	-1.2069
43	P	L	-0.2445
44	P	L	0.0000
45	K	L	-1.2965
46	L	L	0.0000
47	L	L	0.0000
48	I	L	0.0000
49	Y	L	0.1846
50	L	L	0.2035
51	A	L	0.0000
52	S	L	-0.4312
53	N	L	-1.0760
54	L	L	0.3634
55	E	L	0.0000
56	S	L	-0.2973
57	G	L	-0.5049
58	V	L	0.0000
59	P	L	-0.1440
60	A	L	-0.0366
61	R	L	-0.3640
62	F	L	0.0000
63	S	L	-0.1813
64	G	L	-0.1527
65	S	L	-0.2527
66	G	L	-0.2960
67	S	L	-0.6003
68	R	L	-1.8923
69	T	L	-0.4993
70	D	L	-1.0088
71	F	L	0.0000
72	T	L	-0.0323
73	L	L	0.0000
74	T	L	-0.0229
75	I	L	0.0000
76	D	L	-0.9576
77	P	L	-0.3710
78	V	L	0.0000
79	E	L	-1.1766
80	A	L	-0.4890
81	D	L	-1.7785
82	D	L	0.0000
83	A	L	0.0288
84	A	L	0.0113
85	T	L	0.0000
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	N	L	0.0000
92	N	L	-0.6433
93	E	L	-1.3510
94	D	L	-1.9859
95	P	L	-0.5185
96	W	L	0.2008
97	T	L	0.0312
98	F	L	0.0000
99	G	L	0.0000
100	G	L	-0.4663
101	G	L	0.0000
102	T	L	0.0000
103	K	L	-1.5273
104	L	L	0.0000
105	E	L	-1.7617
106	I	L	-0.3463
107	K	L	-1.6600
2	V	H	0.9146
3	Q	H	-0.8632
4	L	H	0.0000
5	Q	H	-0.8496
6	E	H	0.0000
7	S	H	-0.2380
8	G	H	-0.5352
9	P	H	-0.3608
10	G	H	-0.0295
11	L	H	1.4938
12	V	H	0.0000
13	K	H	-1.2890
14	P	H	-0.3426
15	S	H	-0.4763
16	Q	H	-1.2648
17	S	H	-0.4544
18	L	H	0.0000
19	S	H	-0.2327
20	L	H	0.0000
21	T	H	0.0318
22	C	H	0.0000
23	T	H	-0.0519
24	V	H	0.0000
25	T	H	-0.1571
26	G	H	-0.2270
27	Y	H	0.4354
28	S	H	0.0125
29	I	H	0.0000
30	T	H	0.0212
31	T	H	-0.1386
31A	D	H	-0.2679
32	Y	H	0.1205
33	A	H	0.0006
34	W	H	0.0000
35	N	H	0.0000
36	W	H	0.0000
37	I	H	0.0000
38	R	H	0.0000
39	Q	H	0.0000
40	F	H	0.2374
41	P	H	-0.2676
42	G	H	-0.7305
43	N	H	-1.5426
44	K	H	-1.9185
45	L	H	0.0000
46	E	H	-0.2461
47	C	H	0.0000
48	M	H	0.0000
49	G	H	0.0000
50	Y	H	0.1654
51	I	H	0.0000
52	N	H	-0.0983
53	Y	H	0.3563
54	S	H	-0.1618
55	G	H	-0.2681
56	S	H	-0.2551
57	T	H	-0.0934
58	S	H	-0.0041
59	F	H	0.4055
60	N	H	-0.0825
61	P	H	-0.2428
62	S	H	-0.2458
63	L	H	0.0000
64	K	H	-1.7390
65	S	H	-0.6147
66	R	H	-0.5300
67	I	H	0.0000
68	S	H	-0.1433
69	I	H	0.0000
70	T	H	-0.1399
71	R	H	-0.4713
72	D	H	-0.4642
73	T	H	-0.1901
74	S	H	-0.5361
75	K	H	-1.7783
76	N	H	-0.5617
77	Q	H	-0.2052
78	F	H	0.0000
79	F	H	0.4071
80	L	H	0.0000
81	Q	H	-0.6374
82	L	H	0.0000
82A	N	H	-0.5763
82B	S	H	-0.4582
82C	V	H	0.0000
83	T	H	-0.0477
84	T	H	-0.4103
85	E	H	-1.8329
86	D	H	0.0000
87	T	H	-0.0162
88	A	H	0.0000
89	T	H	-0.0471
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	W	H	0.0000
96	D	H	-0.0569
97	Y	H	0.5631
98	G	H	-0.2948
99	R	H	-1.9427
100	G	H	-0.8076
100A	G	H	0.0000
100B	S	H	0.0713
100C	Y	H	0.0972
100D	A	H	0.0000
100E	M	H	0.0000
101	D	H	0.0000
102	Y	H	0.4913
103	W	H	0.0000
104	G	H	0.0000
105	Q	H	-1.1983
106	G	H	0.0000
107	T	H	-0.0498
108	S	H	-0.2171
109	V	H	0.0000
110	T	H	0.1345
111	V	H	0.0000
112	S	H	-0.1639
113	S	H	-0.2359