Project name: SH3_Y131R

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	YA131R
Energy difference between WT (input) and mutated protein (by FoldX)	0.555805 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: -3.4768
• Maximal score value: 0.9119
• Average score: -0.9908
• Total score value: -59.4473

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	-0.1047
87	V	A	-0.6192
88	A	A	0.0000
89	L	A	-0.2994
90	Y	A	-0.7085
91	D	A	-2.8393
92	Y	A	-2.0978
93	E	A	-2.8801
94	S	A	0.0000
95	R	A	-2.7813
96	T	A	-2.2522
97	E	A	-2.4519
98	T	A	-1.4653
99	D	A	-1.7016
100	L	A	0.0000
101	S	A	-2.0296
102	F	A	0.0000
103	K	A	-3.4768
104	K	A	-2.8498
105	G	A	-1.9568
106	E	A	0.0000
107	R	A	-2.0714
108	L	A	0.0000
109	Q	A	-0.2992
110	I	A	0.2037
111	V	A	0.9119
112	N	A	-1.0537
113	N	A	-2.1649
114	T	A	-1.8844
115	E	A	-3.0281
116	G	A	-2.6791
117	D	A	-2.8182
118	W	A	-1.7239
119	W	A	-1.1636
120	L	A	-0.1245
121	A	A	0.0000
122	H	A	-0.5549
123	S	A	0.0000
124	L	A	-0.2796
125	T	A	-0.7803
126	T	A	-0.8781
127	G	A	-0.8169
128	Q	A	-1.4107
129	T	A	-0.6608
130	G	A	0.0000
131	R	A	-0.7639	mutated: YA131R
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.4215
135	N	A	-1.2575
136	Y	A	-0.2071
137	V	A	0.0000
138	A	A	-0.0219
139	P	A	-0.1505
140	S	A	-0.1759