Project name: SH3_G116M

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	GA116M
Energy difference between WT (input) and mutated protein (by FoldX)	-0.208365 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: -3.4997
• Maximal score value: 1.2501
• Average score: -0.7814
• Total score value: -46.8852

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	-0.6298
88	A	A	0.0000
89	L	A	-0.3425
90	Y	A	-0.7984
91	D	A	-2.8835
92	Y	A	-2.1220
93	E	A	-2.8821
94	S	A	0.0000
95	R	A	-2.7838
96	T	A	-2.1538
97	E	A	-2.3523
98	T	A	-1.2407
99	D	A	-1.3231
100	L	A	0.0000
101	S	A	-1.9035
102	F	A	0.0000
103	K	A	-3.4997
104	K	A	-2.8876
105	G	A	-1.9733
106	E	A	0.0000
107	R	A	-2.0714
108	L	A	0.0000
109	Q	A	-0.2491
110	I	A	0.4374
111	V	A	1.2501
112	N	A	-0.1715
113	N	A	-1.2565
114	T	A	-1.1023
115	E	A	-1.6365
116	M	A	-0.8177	mutated: GA116M
117	D	A	-1.7848
118	W	A	-0.7717
119	W	A	-0.2542
120	L	A	0.4720
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	-0.8780
127	G	A	-0.8169
128	Q	A	-1.4119
129	T	A	-0.4944
130	G	A	0.0000
131	Y	A	0.2194
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-0.9063
135	N	A	-1.0889
136	Y	A	-0.2222
137	V	A	0.0000
138	A	A	-0.0213
139	P	A	-0.1505
140	S	A	-0.1759