Project name: SH3_W118Y

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	WA118Y
Energy difference between WT (input) and mutated protein (by FoldX)	0.31924 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: -3.4841
• Maximal score value: 1.2564
• Average score: -0.8845
• Total score value: -53.0689

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	-0.3127
90	Y	A	-0.7370
91	D	A	-2.8534
92	Y	A	-2.1061
93	E	A	-2.8811
94	S	A	0.0000
95	R	A	-2.7825
96	T	A	-2.1516
97	E	A	-2.3504
98	T	A	-1.2366
99	D	A	-1.2983
100	L	A	0.0000
101	S	A	-1.9018
102	F	A	0.0000
103	K	A	-3.4841
104	K	A	-2.8618
105	G	A	-1.9621
106	E	A	0.0000
107	R	A	-2.0714
108	L	A	0.0000
109	Q	A	-0.2472
110	I	A	0.4416
111	V	A	1.2564
112	N	A	-0.3912
113	N	A	-1.7818
114	T	A	-1.7111
115	E	A	-2.8978
116	G	A	-2.5707
117	D	A	-2.6201
118	Y	A	-1.2066	mutated: WA118Y
119	W	A	-0.6260
120	L	A	0.4458
121	A	A	0.0000
122	H	A	-0.3814
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	-1.4112
129	T	A	-0.4920
130	G	A	0.0000
131	Y	A	0.2656
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.2426
135	N	A	-1.2301
136	Y	A	-0.1905
137	V	A	0.0000
138	A	A	-0.0212
139	P	A	-0.1505
140	S	A	-0.1759