Project name: kanti [mutate: MA114I]

Chain sequence(s)	A: QDFYDFKAVNIRGKLVSLEKYRGSVSLVVNVASECGFTDQHYRALQQLQRDLGPHHFNVLAFPCNQFGQQEPDSNKEIESFARRTYSVSFPMFSKIAVTGTGAHPAFKYLAQTSGKEPTWNFWKYLVAPDGKVVGAWDPTVSVEEVRPQITALVR
Distance of aggregation	5 Å
Dynamic mode	No
Mutated residues	MA114I
Energy difference between WT (input) and mutated protein (by FoldX)	0.700244 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: -2.1654
• Maximal score value: 1.6746
• Average score: -0.383
• Total score value: -59.3574

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
23	Q	A	-1.2400
24	D	A	-0.4469
25	F	A	0.0000
26	Y	A	0.0000
27	D	A	-0.7699
28	F	A	-0.2576
29	K	A	-1.6763
30	A	A	0.0000
31	V	A	0.9256
32	N	A	-0.1212
33	I	A	0.0000
34	R	A	-1.9287
35	G	A	-1.1184
36	K	A	-1.5030
37	L	A	1.4038
38	V	A	0.5427
39	S	A	-0.2709
40	L	A	0.0000
41	E	A	-1.9766
42	K	A	-2.0047
43	Y	A	0.0000
44	R	A	-0.7007
45	G	A	-0.4612
46	S	A	0.0000
47	V	A	0.0000
48	S	A	0.0000
49	L	A	0.0000
50	V	A	0.0000
51	V	A	0.0000
52	N	A	0.0000
53	V	A	0.0000
54	A	A	0.0000
55	S	A	-0.3677
56	E	A	-1.8522
57	C	A	0.0000
58	G	A	-0.3536
59	F	A	0.5428
60	T	A	0.0000
61	D	A	-1.2609
62	Q	A	-1.3895
63	H	A	0.0000
64	Y	A	0.0000
65	R	A	-1.8426
66	A	A	-0.3306
67	L	A	0.0000
68	Q	A	0.0000
69	Q	A	-1.3916
70	L	A	0.0000
71	Q	A	-0.4722
72	R	A	-2.1654
73	D	A	-1.2988
74	L	A	0.0000
75	G	A	-0.1718
76	P	A	-0.3858
77	H	A	-0.8327
78	H	A	-1.1000
79	F	A	0.0000
80	N	A	-0.2269
81	V	A	0.0000
82	L	A	0.0000
83	A	A	0.0000
84	F	A	0.0000
85	P	A	0.0000
86	C	A	0.0000
87	N	A	-0.5592
88	Q	A	-0.7265
89	F	A	-0.0178
90	G	A	-0.6476
91	Q	A	-1.3600
92	Q	A	-0.6543
93	E	A	0.0000
94	P	A	-0.4926
95	D	A	-1.6265
96	S	A	-0.5081
97	N	A	-0.9494
98	K	A	-2.0880
99	E	A	-1.8188
100	I	A	0.0000
101	E	A	0.0000
102	S	A	0.0399
103	F	A	0.4792
104	A	A	0.0000
105	R	A	-0.8973
106	R	A	-1.9541
107	T	A	-0.3876
108	Y	A	0.0783
109	S	A	-0.2567
110	V	A	0.0000
111	S	A	-0.2129
112	F	A	0.0000
113	P	A	-0.0447
114	I	A	0.0000	mutated: MA114I
115	F	A	0.0000
116	S	A	-0.1439
117	K	A	-0.5199
118	I	A	0.2089
119	A	A	0.0692
120	V	A	0.0000
121	T	A	-0.0962
122	G	A	-0.4813
123	T	A	-0.2430
124	G	A	-0.4794
125	A	A	0.0000
126	H	A	-0.1575
127	P	A	-0.3568
128	A	A	0.0000
129	F	A	0.0000
130	K	A	-1.0953
131	Y	A	-0.0606
132	L	A	0.0000
133	A	A	-0.4057
134	Q	A	-1.2014
135	T	A	-0.2491
136	S	A	-0.1254
137	G	A	-0.7249
138	K	A	-1.7699
139	E	A	-1.8482
140	P	A	0.0000
141	T	A	0.0095
142	W	A	0.4305
143	N	A	0.0000
144	F	A	0.0000
145	W	A	0.0000
146	K	A	0.0000
147	Y	A	0.0000
148	L	A	0.0000
149	V	A	0.0000
150	A	A	-0.0097
151	P	A	-0.4593
152	D	A	-1.8050
153	G	A	0.0000
154	K	A	-1.1773
155	V	A	0.2958
156	V	A	1.6746
157	G	A	0.2243
158	A	A	0.0261
159	W	A	0.0601
160	D	A	-0.5102
161	P	A	0.0000
162	T	A	-0.0187
163	V	A	0.2500
164	S	A	-0.0234
165	V	A	-0.1537
166	E	A	-2.1161
167	E	A	-2.1498
168	V	A	0.0000
169	R	A	-0.9198
170	P	A	-0.4481
171	Q	A	-0.6591
172	I	A	0.0000
173	T	A	-0.0312
174	A	A	0.1533
175	L	A	0.6016
176	V	A	-0.0119
177	R	A	-1.8013