Project name: SH3_T114Y

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	TA114Y
Energy difference between WT (input) and mutated protein (by FoldX)	0.537408 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: -3.4838
• Maximal score value: 1.523
• Average score: -0.8102
• Total score value: -48.6142

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	-0.4557
82	S	A	-0.6869
83	H	A	-0.7912
84	M	A	0.2611
85	T	A	0.0000
86	F	A	-0.1121
87	V	A	-0.6223
88	A	A	0.0000
89	L	A	-0.3125
90	Y	A	-0.7367
91	D	A	-2.8528
92	Y	A	-2.1055
93	E	A	-2.8815
94	S	A	0.0000
95	R	A	-2.7837
96	T	A	-2.1627
97	E	A	-2.3613
98	T	A	-1.2608
99	D	A	-1.3554
100	L	A	0.0000
101	S	A	-1.9143
102	F	A	0.0000
103	K	A	-3.4838
104	K	A	-2.8616
105	G	A	-1.9621
106	E	A	0.0000
107	R	A	-2.0754
108	L	A	0.0000
109	Q	A	-0.2331
110	I	A	0.4716
111	V	A	1.5230
112	N	A	0.2528
113	N	A	-1.0140
114	Y	A	-0.2624	mutated: TA114Y
115	E	A	-2.2150
116	G	A	-2.2534
117	D	A	-2.5282
118	W	A	-1.1349
119	W	A	-0.3756
120	L	A	0.6510
121	A	A	0.0000
122	H	A	-0.3721
123	S	A	0.0000
124	L	A	-0.2796
125	T	A	-0.7803
126	T	A	-0.8780
127	G	A	-0.8169
128	Q	A	-1.4119
129	T	A	-0.5131
130	G	A	0.0000
131	Y	A	0.1775
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.2997
135	N	A	-1.2488
136	Y	A	-0.2043
137	V	A	0.0000
138	A	A	-0.0212
139	P	A	-0.1545
140	S	A	-0.1759