Project name: SH3_E115Y

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	EA115Y
Energy difference between WT (input) and mutated protein (by FoldX)	0.0430813 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: 1.2524
• Average score: -0.7256
• Total score value: -43.5382

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	-0.3125
90	Y	A	-0.7367
91	D	A	-2.8528
92	Y	A	-2.1052
93	E	A	-2.8810
94	S	A	0.0000
95	R	A	-2.7830
96	T	A	-2.1801
97	E	A	-2.3790
98	T	A	-1.3004
99	D	A	-1.4252
100	L	A	0.0000
101	S	A	-1.9366
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	-2.0714
108	L	A	0.0000
109	Q	A	-0.2395
110	I	A	0.4290
111	V	A	1.2524
112	N	A	0.1383
113	N	A	-0.7622
114	T	A	-0.2011
115	Y	A	0.1995	mutated: EA115Y
116	G	A	-1.0885
117	D	A	-1.8299
118	W	A	-0.5769
119	W	A	-0.0164
120	L	A	0.7152
121	A	A	0.0000
122	H	A	-0.4082
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	-1.4115
129	T	A	-0.5382
130	G	A	0.0000
131	Y	A	-0.0197
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-0.9600
135	N	A	-1.2540
136	Y	A	-0.2080
137	V	A	0.0000
138	A	A	-0.0212
139	P	A	-0.1505
140	S	A	-0.1759