Project name: SH3_K103V

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	KA103V
Energy difference between WT (input) and mutated protein (by FoldX)	0.816927 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: -2.9343
• Maximal score value: 1.2558
• Average score: -0.6849
• Total score value: -41.0943

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	-0.4506
82	S	A	-0.6820
83	H	A	-0.7908
84	M	A	0.2676
85	T	A	0.0000
86	F	A	-0.1034
87	V	A	-0.2497
88	A	A	0.0000
89	L	A	0.2415
90	Y	A	0.1399
91	D	A	-1.3347
92	Y	A	-1.2306
93	E	A	-2.3555
94	S	A	0.0000
95	R	A	-2.7837
96	T	A	-2.1546
97	E	A	-2.3532
98	T	A	-1.2427
99	D	A	-1.3251
100	L	A	0.0000
101	S	A	-1.1965
102	F	A	0.0000
103	V	A	-0.0223	mutated: KA103V
104	K	A	-1.1615
105	G	A	-1.0671
106	E	A	0.0000
107	R	A	-1.6943
108	L	A	0.0000
109	Q	A	-0.2441
110	I	A	0.4416
111	V	A	1.2558
112	N	A	-0.4087
113	N	A	-1.8092
114	T	A	-1.7294
115	E	A	-2.9343
116	G	A	-2.6073
117	D	A	-2.6850
118	W	A	-1.3424
119	W	A	-0.6960
120	L	A	0.4072
121	A	A	0.0000
122	H	A	-0.3848
123	S	A	0.0000
124	L	A	-0.2866
125	T	A	-0.4022
126	T	A	-0.5141
127	G	A	-0.8233
128	Q	A	-1.4158
129	T	A	-0.4965
130	G	A	0.0000
131	Y	A	0.2160
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.2863
135	N	A	-1.2485
136	Y	A	-0.2039
137	V	A	0.0000
138	A	A	-0.0212
139	P	A	-0.1501
140	S	A	-0.1759