Project name: kanti [mutate: MA114A] [mutate: AA114R]

Chain sequence(s)	A: QDFYDFKAVNIRGKLVSLEKYRGSVSLVVNVASECGFTDQHYRALQQLQRDLGPHHFNVLAFPCNQFGQQEPDSNKEIESFARRTYSVSFPAFSKIAVTGTGAHPAFKYLAQTSGKEPTWNFWKYLVAPDGKVVGAWDPTVSVEEVRPQITALVR
Distance of aggregation	5 Å
Dynamic mode	No
Mutated residues	AA114R
Energy difference between WT (input) and mutated protein (by FoldX)	0.00302077 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: -2.168
• Maximal score value: 1.6746
• Average score: -0.3822
• Total score value: -59.2381

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	-0.7701
28	F	A	-0.2586
29	K	A	-1.6765
30	A	A	0.0000
31	V	A	0.9259
32	N	A	-0.1199
33	I	A	0.0000
34	R	A	-1.9287
35	G	A	-1.1184
36	K	A	-1.5030
37	L	A	1.4041
38	V	A	0.5441
39	S	A	-0.2706
40	L	A	0.0000
41	E	A	-1.9766
42	K	A	-2.0047
43	Y	A	0.0000
44	R	A	-0.7020
45	G	A	-0.4682
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	-1.8525
57	C	A	0.0000
58	G	A	-0.3536
59	F	A	0.5428
60	T	A	0.0000
61	D	A	-1.2664
62	Q	A	-1.3905
63	H	A	0.0000
64	Y	A	0.0000
65	R	A	-1.8426
66	A	A	-0.3307
67	L	A	0.0000
68	Q	A	0.0000
69	Q	A	-1.3916
70	L	A	0.0000
71	Q	A	-0.4719
72	R	A	-2.1680
73	D	A	-1.3140
74	L	A	0.0000
75	G	A	-0.1747
76	P	A	-0.3858
77	H	A	-0.8295
78	H	A	-1.0994
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	-0.5015
88	Q	A	-0.6133
89	F	A	0.0019
90	G	A	-0.6476
91	Q	A	-1.3557
92	Q	A	-0.6568
93	E	A	0.0000
94	P	A	-0.4891
95	D	A	-1.5793
96	S	A	-0.5073
97	N	A	-0.9897
98	K	A	-2.1025
99	E	A	-1.8586
100	I	A	0.0000
101	E	A	0.0000
102	S	A	0.0501
103	F	A	0.4762
104	A	A	0.0000
105	R	A	-0.9439
106	R	A	-1.9625
107	T	A	-0.3876
108	Y	A	0.0783
109	S	A	-0.2625
110	V	A	0.0000
111	S	A	-0.2129
112	F	A	0.0000
113	P	A	-0.0443
114	R	A	0.0000	mutated: AA114R
115	F	A	0.0000
116	S	A	-0.1412
117	K	A	-0.5050
118	I	A	0.2131
119	A	A	0.0695
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	-0.1560
127	P	A	-0.3413
128	A	A	0.0000
129	F	A	0.0000
130	K	A	-1.0879
131	Y	A	-0.0596
132	L	A	0.0000
133	A	A	-0.4057
134	Q	A	-1.2014
135	T	A	-0.2489
136	S	A	-0.1244
137	G	A	-0.7261
138	K	A	-1.7771
139	E	A	-1.8496
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	-0.4604
152	D	A	-1.8050
153	G	A	0.0000
154	K	A	-1.1647
155	V	A	0.2982
156	V	A	1.6746
157	G	A	0.2244
158	A	A	0.0264
159	W	A	0.0596
160	D	A	-0.5130
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	-0.9238
170	P	A	-0.4455
171	Q	A	-0.6584
172	I	A	0.0000
173	T	A	-0.0314
174	A	A	0.1537
175	L	A	0.6045
176	V	A	-0.0114
177	R	A	-1.8013