Project name: SH3_V87I

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	VA87I
Energy difference between WT (input) and mutated protein (by FoldX)	-0.411914 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: -3.452
• Maximal score value: 1.2498
• Average score: -0.8785
• Total score value: -52.7096

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	0.2661
85	T	A	0.0000
86	F	A	-0.0220
87	I	A	-0.4889	mutated: VA87I
88	A	A	0.0000
89	L	A	-0.2580
90	Y	A	-0.7106
91	D	A	-2.8449
92	Y	A	-2.1012
93	E	A	-2.8815
94	S	A	0.0000
95	R	A	-2.7837
96	T	A	-2.1540
97	E	A	-2.3526
98	T	A	-1.2414
99	D	A	-1.3229
100	L	A	0.0000
101	S	A	-1.9035
102	F	A	0.0000
103	K	A	-3.4520
104	K	A	-2.8137
105	G	A	-1.8912
106	E	A	0.0000
107	R	A	-1.8762
108	L	A	0.0000
109	Q	A	-0.2047
110	I	A	0.4542
111	V	A	1.2498
112	N	A	-0.4200
113	N	A	-1.8142
114	T	A	-1.7328
115	E	A	-2.9363
116	G	A	-2.6085
117	D	A	-2.6844
118	W	A	-1.3424
119	W	A	-0.6978
120	L	A	0.4047
121	A	A	0.0000
122	H	A	-0.3591
123	S	A	0.0000
124	L	A	-0.2261
125	T	A	-0.7278
126	T	A	-0.8547
127	G	A	-0.8169
128	Q	A	-1.4119
129	T	A	-0.4950
130	G	A	0.0000
131	Y	A	0.2197
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.2853
135	N	A	-1.2423
136	Y	A	-0.1822
137	V	A	0.0000
138	A	A	0.0074
139	P	A	-0.1151
140	S	A	-0.1309