Project name: SH3_Y131F

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	YA131F
Energy difference between WT (input) and mutated protein (by FoldX)	-0.28478 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: -3.4774
• Maximal score value: 1.2534
• Average score: -0.8858
• Total score value: -53.1452

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	-0.1047
87	V	A	-0.6192
88	A	A	0.0000
89	L	A	-0.2999
90	Y	A	-0.7095
91	D	A	-2.8409
92	Y	A	-2.1023
93	E	A	-2.8828
94	S	A	0.0000
95	R	A	-2.7834
96	T	A	-2.1360
97	E	A	-2.3345
98	T	A	-1.1935
99	D	A	-1.2504
100	L	A	0.0000
101	S	A	-1.8826
102	F	A	0.0000
103	K	A	-3.4774
104	K	A	-2.8504
105	G	A	-1.9568
106	E	A	0.0000
107	R	A	-2.0714
108	L	A	0.0000
109	Q	A	-0.2500
110	I	A	0.4503
111	V	A	1.2534
112	N	A	-0.4472
113	N	A	-1.8226
114	T	A	-1.7495
115	E	A	-2.9501
116	G	A	-2.6236
117	D	A	-2.6835
118	W	A	-1.3291
119	W	A	-0.6568
120	L	A	0.4897
121	A	A	0.0000
122	H	A	-0.3587
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	-1.4115
129	T	A	-0.4542
130	G	A	0.0000
131	F	A	0.3801	mutated: YA131F
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.2709
135	N	A	-1.2512
136	Y	A	-0.2030
137	V	A	0.0000
138	A	A	-0.0219
139	P	A	-0.1505
140	S	A	-0.1759