Project name: SH3_T126Y

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	TA126Y
Energy difference between WT (input) and mutated protein (by FoldX)	-1.08513 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: -2.9363
• Maximal score value: 1.2498
• Average score: -0.7922
• Total score value: -47.5296

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	-0.5678
88	A	A	0.0000
89	L	A	-0.2314
90	Y	A	-0.6084
91	D	A	-2.6316
92	Y	A	-1.9794
93	E	A	-2.8070
94	S	A	0.0000
95	R	A	-2.7846
96	T	A	-2.1548
97	E	A	-2.3526
98	T	A	-1.2420
99	D	A	-1.3244
100	L	A	0.0000
101	S	A	-1.6606
102	F	A	0.0000
103	K	A	-2.8327
104	K	A	-2.6127
105	G	A	-1.8323
106	E	A	0.0000
107	R	A	-1.8373
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	-1.3424
119	W	A	-0.6978
120	L	A	0.4047
121	A	A	0.0000
122	H	A	-0.1896
123	S	A	0.0000
124	L	A	0.1256
125	T	A	-0.0786
126	Y	A	0.5245	mutated: TA126Y
127	G	A	-0.1537
128	Q	A	-0.9703
129	T	A	-0.3048
130	G	A	0.0000
131	Y	A	0.2188
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.2857
135	N	A	-1.2485
136	Y	A	-0.2039
137	V	A	0.0000
138	A	A	-0.0212
139	P	A	-0.1505
140	S	A	-0.1759