Project name: SH3_D117V

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	DA117V
Energy difference between WT (input) and mutated protein (by FoldX)	0.0350963 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: 1.252
• Average score: -0.6936
• Total score value: -41.6142

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	-2.1538
97	E	A	-2.3523
98	T	A	-1.2405
99	D	A	-1.3182
100	L	A	0.0000
101	S	A	-1.9031
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	-0.2485
110	I	A	0.4387
111	V	A	1.2520
112	N	A	-0.4124
113	N	A	-1.2890
114	T	A	-1.3013
115	E	A	-1.9053
116	G	A	-0.8588
117	V	A	0.8915	mutated: DA117V
118	W	A	0.4185
119	W	A	0.1324
120	L	A	0.4147
121	A	A	0.0000
122	H	A	-0.3830
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	-0.4941
130	G	A	0.0000
131	Y	A	0.6070
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-0.1540
135	N	A	-0.6029
136	Y	A	-0.2011
137	V	A	0.0000
138	A	A	-0.0213
139	P	A	-0.1505
140	S	A	-0.1759