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

Chain sequence(s)	A: MEGESSISIGYAQSRVKEDGYKLDKNPRGFNLKYRYEFNNDWGVIGSFAQTRRGFEESVLIDGDFKYYSVTAGPVFRINEYVSLYGLLGAGHGKAKFSSFGQSESRSKTSLAYGAGLQFNPHPNFVIDASYEYSKLDDVKVGTWMLGAGYRF
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	WA67F, WA174F
Energy difference between WT (input) and mutated protein (by FoldX)	-0.233569 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: -3.6257
• Maximal score value: 3.1834
• Average score: -0.1435
• Total score value: -21.8099

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	-1.1522
27	E	A	-2.0710
28	G	A	-0.7489
29	E	A	-0.1387
30	S	A	0.0000
31	S	A	0.0000
32	I	A	2.7143
33	S	A	0.0000
34	I	A	3.1834
35	G	A	2.4958
36	Y	A	2.2492
37	A	A	0.0000
38	Q	A	-1.1798
39	S	A	0.0000
40	R	A	-2.6805
41	V	A	0.0000
42	K	A	-2.5526
43	E	A	-2.6685
44	D	A	-2.6547
45	G	A	-1.2369
46	Y	A	-0.4979
47	K	A	-1.7497
48	L	A	-1.8439
49	D	A	-2.2685
50	K	A	-3.5548
51	N	A	-3.3699
52	P	A	0.0000
53	R	A	-2.9132
54	G	A	-0.8887
55	F	A	1.7156
56	N	A	0.0000
57	L	A	2.4467
58	K	A	0.0000
59	Y	A	2.1013
60	R	A	0.0000
61	Y	A	1.5406
62	E	A	0.0000
63	F	A	0.7465
64	N	A	-1.4144
65	N	A	-1.8850
66	D	A	-1.3222
67	F	A	0.8769	mutated: WA67F
68	G	A	0.0000
69	V	A	1.7626
70	I	A	0.0000
71	G	A	1.2232
72	S	A	0.0000
73	F	A	1.9035
74	A	A	0.0000
75	Q	A	-0.1817
76	T	A	0.0000
77	R	A	-3.5331
78	R	A	-3.4664
79	G	A	-2.2446
80	F	A	-0.6302
81	E	A	-2.2619
82	E	A	-2.0228
83	S	A	-0.4936
84	V	A	1.1019
89	L	A	2.5135
90	I	A	2.1762
91	D	A	-0.4206
92	G	A	-1.4181
93	D	A	-2.4582
94	F	A	-2.3132
95	K	A	-2.5680
96	Y	A	0.0000
97	Y	A	0.3352
98	S	A	0.0000
99	V	A	2.4700
100	T	A	0.0000
101	A	A	1.1341
102	G	A	0.5051
103	P	A	1.0225
104	V	A	0.0000
105	F	A	2.0494
106	R	A	0.0000
107	I	A	1.8405
108	N	A	-0.0995
109	E	A	-1.2548
110	Y	A	0.8014
111	V	A	1.8120
112	S	A	0.0000
113	L	A	2.0765
114	Y	A	0.0000
115	G	A	0.8263
116	L	A	0.0000
117	L	A	2.1824
118	G	A	1.6984
119	A	A	1.4604
120	G	A	0.0000
121	H	A	-0.3932
122	G	A	0.0000
123	K	A	-2.3335
124	A	A	-2.5166
125	K	A	-2.6588
126	F	A	-1.1683
127	S	A	-0.4326
128	S	A	1.0394
130	F	A	1.8079
131	G	A	-0.1725
132	Q	A	-0.9954
133	S	A	-1.4941
134	E	A	-2.7220
135	S	A	-2.6083
136	R	A	-2.9136
137	S	A	-2.2749
138	K	A	-2.0161
139	T	A	-0.7887
140	S	A	-0.3014
141	L	A	1.4661
142	A	A	0.0000
143	Y	A	1.8146
144	G	A	1.1278
145	A	A	0.7978
146	G	A	0.9171
147	L	A	1.6650
148	Q	A	0.0000
149	F	A	1.5425
150	N	A	0.0000
151	P	A	-0.1551
152	H	A	-0.8571
153	P	A	-0.4092
154	N	A	0.0522
155	F	A	1.0652
156	V	A	0.0000
157	I	A	1.7513
158	D	A	0.0000
159	A	A	1.5372
160	S	A	0.0000
161	Y	A	1.5480
162	E	A	0.0000
163	Y	A	0.6810
164	S	A	0.0000
165	K	A	-2.2887
166	L	A	0.0000
167	D	A	-3.3361
168	D	A	-3.6257
169	V	A	-2.6205
170	K	A	-2.6660
171	V	A	0.0000
172	G	A	0.0000
173	T	A	0.0000
174	F	A	1.7753	mutated: WA174F
175	M	A	0.0000
176	L	A	2.4868
177	G	A	1.9629
178	A	A	1.8462
179	G	A	1.7091
180	Y	A	2.3326
181	R	A	0.0000
182	F	A	2.2058