Project name: H3807 [mutate: IH57A]

Chain sequence(s)	H: VQLVQSGAEVKKPGASVKVSCKASGYTFTNYWLGWIKQAPGQGLEWIGDIYPGGDYIVYNEKFKGKATLTADTSISTAYMELSRLRSDDTAVYYCARPNLPKDHWGQGTTVTVS; L: DIVMTQSPLSLPVTPGEPASISCRSSKSLLHSQGITYLYWYLQKPGQSPQLLIYQVSNLASGVPDRFSGSGSGTDFTLKISRVEAEDVGVYYCAQYLELPWTFGGGTKVEIK
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	IH57A
Energy difference between WT (input) and mutated protein (by FoldX)	0.996003 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: -3.3938
• Maximal score value: 1.1866
• Average score: -0.6202
• Total score value: -140.1566

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	-1.4865
2	I	L	0.0000
3	V	L	0.8122
4	M	L	0.0000
5	T	L	-0.4281
6	Q	L	-0.2609
7	S	L	-0.2697
8	P	L	0.3339
9	L	L	1.1866
10	S	L	0.0884
11	L	L	-0.0250
12	P	L	-0.9669
13	V	L	0.0000
14	T	L	-1.8013
15	P	L	-2.0512
16	G	L	-2.1597
17	E	L	-2.8636
18	P	L	-2.4320
19	A	L	-1.3579
20	S	L	-0.7893
21	I	L	0.0000
22	S	L	-0.9574
23	C	L	0.0000
24	R	L	-1.8755
25	S	L	0.0000
26	S	L	-0.9355
27	K	L	-1.4572
28	S	L	-0.6734
29	L	L	0.0000
30	L	L	1.0170
30A	H	L	-0.0230
30B	S	L	-0.5864
30C	Q	L	-1.1684
30D	G	L	-0.4705
30E	I	L	0.3617
31	T	L	0.4387
32	Y	L	0.4893
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	-1.2146
40	P	L	-0.9259
41	G	L	-1.3553
42	Q	L	-1.8896
43	S	L	-1.3610
44	P	L	0.0000
45	Q	L	-1.3973
46	L	L	-0.4406
47	L	L	0.0000
48	I	L	0.0000
49	Y	L	-0.0270
50	Q	L	-0.2395
51	V	L	-0.2061
52	S	L	-0.6272
53	N	L	-0.8166
54	L	L	-0.3465
55	A	L	0.0000
56	S	L	-0.3306
57	G	L	-0.6149
58	V	L	-0.6093
59	P	L	-1.0797
60	D	L	-1.9814
61	R	L	-2.1595
62	F	L	0.0000
63	S	L	-1.2135
64	G	L	-0.8268
65	S	L	-1.0789
66	G	L	-1.1700
67	S	L	-0.7895
68	G	L	-0.6459
69	T	L	-1.3416
70	D	L	-1.9655
71	F	L	0.0000
72	T	L	-1.0811
73	L	L	0.0000
74	K	L	-1.8871
75	I	L	0.0000
76	S	L	-2.5272
77	R	L	-3.3938
78	V	L	0.0000
79	E	L	-2.8784
80	A	L	-1.5259
81	E	L	-2.1599
82	D	L	0.0000
83	V	L	-0.4711
84	G	L	0.0000
85	V	L	0.0604
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	0.3899
93	E	L	-0.7816
94	L	L	0.1594
95	P	L	-0.6655
96	W	L	0.0000
97	T	L	-0.2636
98	F	L	-0.0966
99	G	L	0.0000
100	G	L	-0.6355
101	G	L	0.0000
102	T	L	0.0000
103	K	L	-0.3129
104	V	L	0.0000
105	E	L	-1.5282
106	I	L	-1.1305
107	K	L	-1.8691
2	V	H	0.4406
3	Q	H	-0.7715
4	L	H	0.0000
5	V	H	-0.0124
6	Q	H	0.0000
7	S	H	-0.5765
8	G	H	-0.6927
9	A	H	-0.0781
10	E	H	-0.2245
11	V	H	0.9366
12	K	H	-0.9135
13	K	H	-2.1775
14	P	H	-1.9335
15	G	H	-1.9702
16	A	H	-1.6285
17	S	H	-1.6875
18	V	H	0.0000
19	K	H	-2.2146
20	V	H	0.0000
21	S	H	-0.6571
22	C	H	0.0000
23	K	H	-0.7759
24	A	H	0.0000
25	S	H	-0.1966
26	G	H	-0.1409
27	Y	H	0.0519
28	T	H	-0.2172
29	F	H	0.0000
30	T	H	-0.9046
31	N	H	-1.1047
32	Y	H	-0.0227
33	W	H	-0.0507
34	L	H	0.0000
35	G	H	0.0000
36	W	H	0.0000
37	I	H	0.0000
38	K	H	-0.8725
39	Q	H	0.0000
40	A	H	-1.1141
41	P	H	-0.8328
42	G	H	-1.2193
43	Q	H	-1.8482
44	G	H	-1.3280
45	L	H	0.0000
46	E	H	-2.0416
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	-0.1272
52A	P	H	0.0000
53	G	H	-1.1299
54	G	H	-1.1555
55	D	H	-1.3787
56	Y	H	0.4698
57	A	H	0.4448	mutated: IH57A
58	V	H	0.3348
59	Y	H	-0.8018
60	N	H	-2.0495
61	E	H	-3.2018
62	K	H	-3.2230
63	F	H	0.0000
64	K	H	-3.0723
65	G	H	-2.2071
66	K	H	-2.0537
67	A	H	0.0000
68	T	H	-1.0082
69	L	H	0.0000
70	T	H	-0.4718
71	A	H	-0.6550
72	D	H	-0.6146
73	T	H	-0.3542
74	S	H	0.2855
75	I	H	0.9998
76	S	H	0.0880
77	T	H	0.0000
78	A	H	0.0000
79	Y	H	-0.7382
80	M	H	0.0000
81	E	H	-1.8379
82	L	H	0.0000
82A	S	H	-1.9217
82B	R	H	-2.7429
82C	L	H	0.0000
83	R	H	-3.3367
84	S	H	-2.2296
85	D	H	-2.5055
86	D	H	0.0000
87	T	H	-0.9112
88	A	H	0.0000
89	V	H	-0.0469
90	Y	H	0.0000
91	Y	H	0.0000
92	C	H	0.0000
93	A	H	0.0000
94	R	H	-0.3977
95	P	H	0.0000
96	N	H	-0.7753
97	L	H	0.2402
98	P	H	-0.2514
99	K	H	0.0000
101	D	H	-1.0276
102	H	H	-0.9900
103	W	H	-0.7534
104	G	H	0.0000
105	Q	H	-1.4815
106	G	H	0.0000
107	T	H	0.0000
108	T	H	-0.0735
109	V	H	0.0000
110	T	H	-0.3201
111	V	H	0.0000
112	S	H	-0.8311