Project name: Ankit Mr Gupta [mutate: WA67F, WA174F] [mutate: FA67Y, FA174Y]

Chain sequence(s)	A: MEGESSISIGYAQSRVKEDGYKLDKNPRGFNLKYRYEFNNDFGVIGSFAQTRRGFEESVLIDGDFKYYSVTAGPVFRINEYVSLYGLLGAGHGKAKFSSFGQSESRSKTSLAYGAGLQFNPHPNFVIDASYEYSKLDDVKVGTFMLGAGYRF
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	FA67Y, FA174Y
Energy difference between WT (input) and mutated protein (by FoldX)	0.900286 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: -3.6229
• Maximal score value: 3.2697
• Average score: -0.1612
• Total score value: -24.4951

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
26	M	A	-1.1694
27	E	A	-2.1261
28	G	A	-0.7794
29	E	A	-0.1671
30	S	A	0.0000
31	S	A	0.0000
32	I	A	2.7115
33	S	A	0.0000
34	I	A	3.2697
35	G	A	2.6597
36	Y	A	2.3758
37	A	A	0.0000
38	Q	A	-1.2343
39	S	A	0.0000
40	R	A	-2.6984
41	V	A	0.0000
42	K	A	-2.5447
43	E	A	-2.6650
44	D	A	-2.6531
45	G	A	-1.2368
46	Y	A	-0.4977
47	K	A	-1.7501
48	L	A	-1.8362
49	D	A	-2.2452
50	K	A	-3.5210
51	N	A	-3.2892
52	P	A	0.0000
53	R	A	-2.8895
54	G	A	-0.8785
55	F	A	1.7665
56	N	A	0.0000
57	L	A	2.4979
58	K	A	0.0000
59	Y	A	2.0946
60	R	A	0.0000
61	Y	A	1.4688
62	E	A	0.0000
63	F	A	0.5963
64	N	A	-1.5269
65	N	A	-1.9434
66	D	A	-1.4305
67	Y	A	0.6459	mutated: FA67Y
68	G	A	0.0000
69	V	A	1.7091
70	I	A	0.0000
71	G	A	1.2214
72	S	A	0.0000
73	F	A	1.9011
74	A	A	0.0000
75	Q	A	-0.1809
76	T	A	0.0000
77	R	A	-3.4990
78	R	A	-3.4141
79	G	A	-2.2143
80	F	A	-0.6224
81	E	A	-2.2572
82	E	A	-2.0223
83	S	A	-0.4936
84	V	A	1.1019
89	L	A	2.5136
90	I	A	2.1669
91	D	A	-0.4296
92	G	A	-1.4262
93	D	A	-2.4461
94	F	A	-2.2907
95	K	A	-2.5476
96	Y	A	0.0000
97	Y	A	0.3352
98	S	A	0.0000
99	V	A	2.4638
100	T	A	0.0000
101	A	A	1.1363
102	G	A	0.5135
103	P	A	1.0006
104	V	A	0.0000
105	F	A	2.0105
106	R	A	0.0000
107	I	A	1.8186
108	N	A	-0.1046
109	E	A	-1.2558
110	Y	A	0.7971
111	V	A	1.8117
112	S	A	0.0000
113	L	A	2.0923
114	Y	A	0.0000
115	G	A	0.8006
116	L	A	0.0000
117	L	A	2.1708
118	G	A	1.6846
119	A	A	1.4425
120	G	A	0.0000
121	H	A	-0.3957
122	G	A	0.0000
123	K	A	-2.3175
124	A	A	-2.5100
125	K	A	-2.6642
126	F	A	-1.1988
127	S	A	-0.4469
128	S	A	1.0320
130	F	A	1.8081
131	G	A	-0.1723
132	Q	A	-1.0002
133	S	A	-1.5043
134	E	A	-2.7316
135	S	A	-2.6111
136	R	A	-2.9120
137	S	A	-2.2659
138	K	A	-2.0119
139	T	A	-0.7957
140	S	A	-0.3218
141	L	A	1.4225
142	A	A	0.0000
143	Y	A	1.7562
144	G	A	1.0051
145	A	A	0.6980
146	G	A	0.8585
147	L	A	1.6753
148	Q	A	0.0000
149	F	A	1.5375
150	N	A	0.0000
151	P	A	-0.1541
152	H	A	-0.8534
153	P	A	-0.3978
154	N	A	0.0644
155	F	A	1.0691
156	V	A	0.0000
157	I	A	1.8350
158	D	A	0.0000
159	A	A	1.6306
160	S	A	0.0000
161	Y	A	1.2023
162	E	A	0.0000
163	Y	A	0.5814
164	S	A	0.0000
165	K	A	-2.2930
166	L	A	0.0000
167	D	A	-3.3346
168	D	A	-3.6229
169	V	A	-2.6145
170	K	A	-2.6568
171	V	A	0.0000
172	G	A	0.0000
173	T	A	0.0000
174	Y	A	1.5557	mutated: FA174Y
175	M	A	0.0000
176	L	A	2.8571
177	G	A	0.0000
178	A	A	1.9546
179	G	A	1.7184
180	Y	A	2.3337
181	R	A	0.0000
182	F	A	2.2045