Project name: SH3_V111Y

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	VA111Y
Energy difference between WT (input) and mutated protein (by FoldX)	0.0602754 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: 0.8873
• Average score: -0.8957
• Total score value: -53.7429

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	-0.4744
82	S	A	-0.6389
83	H	A	-0.7599
84	M	A	0.3230
85	T	A	0.0000
86	F	A	-0.0325
87	V	A	-0.5852
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	-2.1552
97	E	A	-2.3537
98	T	A	-1.2407
99	D	A	-1.3232
100	L	A	0.0000
101	S	A	-1.9037
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	-1.9833
108	L	A	0.0000
109	Q	A	-0.0552
110	I	A	0.3710
111	Y	A	0.8873	mutated: VA111Y
112	N	A	-0.6006
113	N	A	-1.9179
114	T	A	-1.7845
115	E	A	-2.9347
116	G	A	-2.6088
117	D	A	-2.6855
118	W	A	-1.3419
119	W	A	-0.7774
120	L	A	0.3182
121	A	A	0.0000
122	H	A	-0.3065
123	S	A	0.0000
124	L	A	-0.1340
125	T	A	-0.7363
126	T	A	-0.8404
127	G	A	-0.7623
128	Q	A	-1.3710
129	T	A	-0.4721
130	G	A	0.0000
131	Y	A	0.1729
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.2850
135	N	A	-1.2485
136	Y	A	-0.2039
137	V	A	0.0000
138	A	A	-0.0212
139	P	A	-0.1208
140	S	A	-0.1759