Project name: SH3_S94E

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	SA94E
Energy difference between WT (input) and mutated protein (by FoldX)	3.71257 kcal/mol CAUTION: Your mutation/s can destabilize the protein structure 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: -3.494
• Maximal score value: 1.2501
• Average score: -0.9555
• Total score value: -57.3305

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	-0.1036
87	V	A	-0.6220
88	A	A	0.0000
89	L	A	-0.3154
90	Y	A	-0.7455
91	D	A	-2.8674
92	Y	A	-2.2307
93	E	A	-3.1021
94	E	A	-2.5954	mutated: SA94E
95	R	A	-2.9905
96	T	A	-2.2764
97	E	A	-2.4134
98	T	A	-1.2801
99	D	A	-1.4052
100	L	A	0.0000
101	S	A	-2.0670
102	F	A	0.0000
103	K	A	-3.4940
104	K	A	-2.8663
105	G	A	-1.9631
106	E	A	0.0000
107	R	A	-2.0714
108	L	A	0.0000
109	Q	A	-0.2491
110	I	A	0.4375
111	V	A	1.2501
112	N	A	-0.4188
113	N	A	-1.8126
114	T	A	-1.7319
115	E	A	-2.9345
116	G	A	-2.6067
117	D	A	-2.6811
118	W	A	-1.3279
119	W	A	-0.6874
120	L	A	0.4164
121	A	A	0.0000
122	H	A	-0.3837
123	S	A	0.0000
124	L	A	-0.2796
125	T	A	-0.7803
126	T	A	-0.8800
127	G	A	-0.8169
128	Q	A	-1.4089
129	T	A	-0.4867
130	G	A	0.0000
131	Y	A	0.1930
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.2812
135	N	A	-1.2451
136	Y	A	-0.2013
137	V	A	0.0000
138	A	A	-0.0199
139	P	A	-0.1505
140	S	A	-0.1759