Project name: SH3_S101Y

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	SA101Y
Energy difference between WT (input) and mutated protein (by FoldX)	0.226185 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: -3.2054
• Maximal score value: 1.2498
• Average score: -0.7873
• Total score value: -47.2391

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
81	G	A	-0.4510
82	S	A	-0.6826
83	H	A	-0.7912
84	M	A	0.2668
85	T	A	0.0000
86	F	A	-0.1044
87	V	A	-0.6223
88	A	A	0.0000
89	L	A	-0.3129
90	Y	A	-0.7377
91	D	A	-2.6171
92	Y	A	-1.6705
93	E	A	-2.3330
94	S	A	0.0000
95	R	A	-2.5783
96	T	A	-1.9915
97	E	A	-2.3459
98	T	A	-1.0835
99	D	A	-0.9141
100	L	A	0.0000
101	Y	A	-0.4372	mutated: SA101Y
102	F	A	0.0000
103	K	A	-3.2054
104	K	A	-2.8622
105	G	A	-1.9621
106	E	A	0.0000
107	R	A	-2.0709
108	L	A	0.0000
109	Q	A	-0.2491
110	I	A	0.4372
111	V	A	1.2498
112	N	A	-0.4200
113	N	A	-1.8142
114	T	A	-1.7328
115	E	A	-2.9363
116	G	A	-2.6085
117	D	A	-2.6844
118	W	A	-1.3396
119	W	A	-0.6951
120	L	A	0.4084
121	A	A	0.0000
122	H	A	-0.2126
123	S	A	0.0000
124	L	A	-0.1665
125	T	A	-0.6806
126	T	A	-0.5273
127	G	A	-0.5152
128	Q	A	-0.5801
129	T	A	0.0057
130	G	A	0.0000
131	Y	A	0.4154
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.2857
135	N	A	-1.2485
136	Y	A	-0.2045
137	V	A	0.0000
138	A	A	-0.0212
139	P	A	-0.1505
140	S	A	-0.1759