Project name: SH3_D117Y

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	DA117Y
Energy difference between WT (input) and mutated protein (by FoldX)	0.295966 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: -3.4704
• Maximal score value: 1.252
• Average score: -0.7173
• Total score value: -43.0408

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	-0.0945
87	V	A	-0.6023
88	A	A	0.0000
89	L	A	-0.2570
90	Y	A	-0.6587
91	D	A	-2.8127
92	Y	A	-2.0781
93	E	A	-2.8812
94	S	A	0.0000
95	R	A	-2.7834
96	T	A	-2.1532
97	E	A	-2.3518
98	T	A	-1.2397
99	D	A	-1.3290
100	L	A	0.0000
101	S	A	-1.9027
102	F	A	0.0000
103	K	A	-3.4704
104	K	A	-2.8266
105	G	A	-1.9525
106	E	A	0.0000
107	R	A	-2.0714
108	L	A	0.0000
109	Q	A	-0.2485
110	I	A	0.4398
111	V	A	1.2520
112	N	A	-0.4264
113	N	A	-1.3751
114	T	A	-1.3706
115	E	A	-2.0642
116	G	A	-1.1097
117	Y	A	0.3863	mutated: DA117Y
118	W	A	0.1043
119	W	A	-0.0204
120	L	A	0.3927
121	A	A	0.0000
122	H	A	-0.3830
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	-1.4117
129	T	A	-0.4938
130	G	A	0.0000
131	Y	A	0.5318
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-0.2915
135	N	A	-0.6448
136	Y	A	-0.1027
137	V	A	0.0000
138	A	A	-0.0009
139	P	A	-0.1505
140	S	A	-0.1759