Project name: SH3_E116Y

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	EA116Y
Energy difference between WT (input) and mutated protein (by FoldX)	-0.363007 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: -3.0822
• Maximal score value: 1.7964
• Average score: -0.7467
• Total score value: -42.5637

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
85	T	A	0.5173
86	L	A	0.7932
87	F	A	0.9238
88	V	A	0.4313
89	A	A	0.0000
90	L	A	-0.1511
91	Y	A	-0.5748
92	D	A	-2.5599
93	Y	A	-1.9315
94	E	A	-2.6452
95	A	A	-2.6038
96	R	A	-2.9852
97	T	A	-2.6608
98	E	A	-3.0822
99	D	A	-2.9949
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.1841
103	F	A	0.0000
104	H	A	-2.7282
105	K	A	-2.4059
106	G	A	-1.4581
107	E	A	-1.3078
108	K	A	-0.6426
109	F	A	0.0000
110	Q	A	-0.4833
111	I	A	0.0241
112	L	A	0.2656
113	N	A	0.0765
114	S	A	-0.0999
115	S	A	0.0074
116	Y	A	0.6353	mutated: EA116Y
117	G	A	-0.5407
118	D	A	-1.6938
119	W	A	-0.3471
120	W	A	-0.2558
121	E	A	-0.5431
122	A	A	0.0000
123	R	A	-1.6867
124	S	A	0.0000
125	L	A	0.0592
126	T	A	-0.4730
127	T	A	-0.8207
128	G	A	-1.3573
129	E	A	-2.2402
130	T	A	-1.6520
131	G	A	-1.3996
132	Y	A	-0.6441
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.8736
136	N	A	-1.1408
137	Y	A	-0.1175
138	V	A	0.0000
139	A	A	0.4158
140	P	A	0.7757
141	V	A	1.7964