Project name: H3807 [mutate: IH57A] [mutate: LL30I]

Chain sequence(s)	H: VQLVQSGAEVKKPGASVKVSCKASGYTFTNYWLGWIKQAPGQGLEWIGDIYPGGDYAVYNEKFKGKATLTADTSISTAYMELSRLRSDDTAVYYCARPNLPKDHWGQGTTVTVS; L: DIVMTQSPLSLPVTPGEPASISCRSSKSLLHSQGITYLYWYLQKPGQSPQLLIYQVSNLASGVPDRFSGSGSGTDFTLKISRVEAEDVGVYYCAQYLELPWTFGGGTKVEIK
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	LL30I
Energy difference between WT (input) and mutated protein (by FoldX)	0.284011 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: -3.3949
• Maximal score value: 1.4557
• Average score: -0.6044
• Total score value: -136.5914

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	D	L	-1.4875
2	I	L	0.0000
3	V	L	0.8229
4	M	L	0.0000
5	T	L	-0.4155
6	Q	L	-0.2515
7	S	L	-0.2640
8	P	L	0.3337
9	L	L	1.1854
10	S	L	0.0919
11	L	L	-0.0156
12	P	L	-0.9532
13	V	L	0.0000
14	T	L	-1.8007
15	P	L	-2.0511
16	G	L	-2.1632
17	E	L	-2.8717
18	P	L	-2.4343
19	A	L	-1.3564
20	S	L	-0.7816
21	I	L	0.0000
22	S	L	-0.9509
23	C	L	0.0000
24	R	L	-1.8243
25	S	L	0.0000
26	S	L	-0.9019
27	K	L	-1.3484
28	S	L	-0.4730
29	L	L	0.0000
30	I	L	1.4557	mutated: LL30I
30A	H	L	0.1777
30B	S	L	-0.4968
30C	Q	L	-1.1061
30D	G	L	-0.3737
30E	I	L	0.4686
31	T	L	0.6239
32	Y	L	0.5891
33	L	L	0.0000
34	Y	L	0.0000
35	W	L	0.0000
36	Y	L	0.0000
37	L	L	0.0000
38	Q	L	0.0000
39	K	L	-1.2143
40	P	L	-0.9248
41	G	L	-1.3528
42	Q	L	-1.8843
43	S	L	-1.3584
44	P	L	0.0000
45	Q	L	-1.3965
46	L	L	-0.4425
47	L	L	0.0000
48	I	L	0.0000
49	Y	L	-0.0421
50	Q	L	-0.2147
51	V	L	-0.1551
52	S	L	-0.6224
53	N	L	-0.8309
54	L	L	-0.3540
55	A	L	0.0000
56	S	L	-0.3335
57	G	L	-0.6157
58	V	L	-0.6097
59	P	L	-1.0788
60	D	L	-1.9803
61	R	L	-2.1550
62	F	L	0.0000
63	S	L	-1.1889
64	G	L	0.0000
65	S	L	-1.0476
66	G	L	-1.1410
67	S	L	-0.6964
68	G	L	-0.4431
69	T	L	-1.2293
70	D	L	-1.9392
71	F	L	0.0000
72	T	L	-1.0612
73	L	L	0.0000
74	K	L	-1.8662
75	I	L	0.0000
76	S	L	-2.5259
77	R	L	-3.3949
78	V	L	0.0000
79	E	L	-2.8792
80	A	L	-1.5248
81	E	L	-2.1599
82	D	L	0.0000
83	V	L	-0.4702
84	G	L	0.0000
85	V	L	0.0561
86	Y	L	0.0000
87	Y	L	0.0000
88	C	L	0.0000
89	A	L	0.0000
90	Q	L	0.0000
91	Y	L	0.0000
92	L	L	0.4550
93	E	L	-0.7968
94	L	L	0.1389
95	P	L	-0.6769
96	W	L	0.0000
97	T	L	-0.2667
98	F	L	-0.0963
99	G	L	0.0000
100	G	L	-0.6360
101	G	L	0.0000
102	T	L	0.0000
103	K	L	-0.3135
104	V	L	0.0000
105	E	L	-1.5129
106	I	L	-1.1242
107	K	L	-1.8649
2	V	H	0.4404
3	Q	H	-0.7748
4	L	H	0.0000
5	V	H	-0.0325
6	Q	H	0.0000
7	S	H	-0.6305
8	G	H	-0.7215
9	A	H	-0.1196
10	E	H	-0.2943
11	V	H	0.9067
12	K	H	-0.9280
13	K	H	-2.1824
14	P	H	-1.9318
15	G	H	-1.9708
16	A	H	-1.6273
17	S	H	-1.6870
18	V	H	0.0000
19	K	H	-2.2296
20	V	H	0.0000
21	S	H	-0.6825
22	C	H	0.0000
23	K	H	-0.7983
24	A	H	0.0000
25	S	H	-0.2004
26	G	H	-0.1411
27	Y	H	0.0498
28	T	H	-0.2209
29	F	H	0.0000
30	T	H	-0.8841
31	N	H	-1.1140
32	Y	H	-0.0309
33	W	H	-0.0279
34	L	H	0.0000
35	G	H	0.0000
36	W	H	0.0000
37	I	H	0.0000
38	K	H	-0.8743
39	Q	H	0.0000
40	A	H	-1.1161
41	P	H	-0.8342
42	G	H	-1.2194
43	Q	H	-1.8483
44	G	H	-1.3285
45	L	H	0.0000
46	E	H	-2.0415
47	W	H	0.0000
48	I	H	0.0000
49	G	H	0.0000
50	D	H	0.0000
51	I	H	0.0000
52	Y	H	-0.0556
52A	P	H	0.0000
53	G	H	-1.0739
54	G	H	-1.0475
55	D	H	-1.1521
56	Y	H	0.5783
57	A	H	0.5031
58	V	H	0.3497
59	Y	H	-0.8089
60	N	H	-2.0551
61	E	H	-3.2049
62	K	H	-3.2235
63	F	H	0.0000
64	K	H	-3.0736
65	G	H	-2.2072
66	K	H	-2.0549
67	A	H	0.0000
68	T	H	-1.0105
69	L	H	0.0000
70	T	H	-0.4169
71	A	H	-0.6096
72	D	H	-0.5989
73	T	H	-0.3340
74	S	H	0.2827
75	I	H	0.9950
76	S	H	0.0822
77	T	H	0.0000
78	A	H	0.0000
79	Y	H	-0.7461
80	M	H	0.0000
81	E	H	-1.8486
82	L	H	0.0000
82A	S	H	-1.9229
82B	R	H	-2.7422
82C	L	H	0.0000
83	R	H	-3.3364
84	S	H	-2.2295
85	D	H	-2.5055
86	D	H	0.0000
87	T	H	-0.9192
88	A	H	0.0000
89	V	H	-0.0597
90	Y	H	0.0000
91	Y	H	0.0000
92	C	H	0.0000
93	A	H	0.0000
94	R	H	-0.3975
95	P	H	0.0000
96	N	H	-0.7677
97	L	H	0.2380
98	P	H	-0.2546
99	K	H	0.0000
101	D	H	-1.0274
102	H	H	-0.9900
103	W	H	-0.7536
104	G	H	0.0000
105	Q	H	-1.4875
106	G	H	0.0000
107	T	H	0.0000
108	T	H	-0.0980
109	V	H	0.0000
110	T	H	-0.3366
111	V	H	0.0000
112	S	H	-0.8304