Project name: SH3_E97M

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	EA97M
Energy difference between WT (input) and mutated protein (by FoldX)	0.169966 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: -3.4841
• Maximal score value: 1.2495
• Average score: -0.7693
• Total score value: -46.1557

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	-2.8530
92	Y	A	-2.1048
93	E	A	-2.8801
94	S	A	0.0000
95	R	A	-2.1162
96	T	A	-0.7469
97	M	A	0.5361	mutated: EA97M
98	T	A	0.1818
99	D	A	-0.4847
100	L	A	0.0000
101	S	A	-1.8999
102	F	A	0.0000
103	K	A	-3.4841
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	-0.2491
110	I	A	0.4369
111	V	A	1.2495
112	N	A	-0.4203
113	N	A	-1.8145
114	T	A	-1.7328
115	E	A	-2.9363
116	G	A	-2.6085
117	D	A	-2.6847
118	W	A	-1.3419
119	W	A	-0.6975
120	L	A	0.4080
121	A	A	0.0000
122	H	A	-0.3844
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	-1.4110
129	T	A	-0.4903
130	G	A	0.0000
131	Y	A	0.5429
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.2860
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