Project name: SH3_E115F

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	EA115F
Energy difference between WT (input) and mutated protein (by FoldX)	0.257034 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: 1.3532
• Average score: -0.681
• Total score value: -40.8601

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	-2.1055
93	E	A	-2.8815
94	S	A	0.0000
95	R	A	-2.7837
96	T	A	-2.1742
97	E	A	-2.3730
98	T	A	-1.2882
99	D	A	-1.4046
100	L	A	0.0000
101	S	A	-1.9287
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	-0.2177
110	I	A	0.4889
111	V	A	1.3532
112	N	A	0.4277
113	N	A	-0.4979
114	T	A	0.0899
115	F	A	0.7127	mutated: EA115F
116	G	A	-0.8337
117	D	A	-1.6845
118	W	A	-0.4034
119	W	A	0.1743
120	L	A	0.8579
121	A	A	0.0000
122	H	A	-0.3812
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	-1.4119
129	T	A	-0.5302
130	G	A	0.0000
131	Y	A	0.0619
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-0.8972
135	N	A	-1.2537
136	Y	A	-0.2078
137	V	A	0.0000
138	A	A	-0.0212
139	P	A	-0.1505
140	S	A	-0.1759