Project name: SH3_G116E

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	GA116E
Energy difference between WT (input) and mutated protein (by FoldX)	-0.53581 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: -3.9643
• Maximal score value: 1.2515
• Average score: -0.9727
• Total score value: -58.3594

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	-2.1566
97	E	A	-2.3551
98	T	A	-1.2468
99	D	A	-1.3332
100	L	A	0.0000
101	S	A	-1.9066
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	-0.2478
110	I	A	0.4374
111	V	A	1.2515
112	N	A	-0.5527
113	N	A	-2.1441
114	T	A	-2.0517
115	E	A	-3.5966
116	E	A	-3.9643	mutated: GA116E
117	D	A	-3.3536
118	W	A	-1.7367
119	W	A	-0.9847
120	L	A	0.3990
121	A	A	0.0000
122	H	A	-0.3857
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	-0.4987
130	G	A	0.0000
131	Y	A	0.1966
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.5737
135	N	A	-1.3997
136	Y	A	-0.2050
137	V	A	0.0000
138	A	A	-0.0212
139	P	A	-0.1505
140	S	A	-0.1759