Project name: SH3_Q109Y

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	QA109Y
Energy difference between WT (input) and mutated protein (by FoldX)	-0.32376 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: 0.6566
• Average score: -0.8782
• Total score value: -52.6902

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	-0.4656
82	S	A	-0.5547
83	H	A	-0.7005
84	M	A	0.3659
85	T	A	0.1229
86	F	A	0.1249
87	V	A	-0.4572
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	-2.1549
97	E	A	-2.3535
98	T	A	-1.2430
99	D	A	-1.3253
100	L	A	0.0000
101	S	A	-1.9041
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	-1.7395
108	L	A	0.0000
109	Y	A	0.6566	mutated: QA109Y
110	I	A	0.0000
111	V	A	0.6263
112	N	A	-0.7429
113	N	A	-2.0635
114	T	A	-1.8185
115	E	A	-2.9324
116	G	A	-2.6060
117	D	A	-2.6844
118	W	A	-1.3405
119	W	A	-0.9348
120	L	A	0.2129
121	A	A	0.0000
122	H	A	-0.2051
123	S	A	0.0000
124	L	A	0.3325
125	T	A	-0.6114
126	T	A	-0.7752
127	G	A	-0.7040
128	Q	A	-1.3646
129	T	A	-0.4705
130	G	A	0.0000
131	Y	A	0.0701
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.3227
135	N	A	-1.2481
136	Y	A	-0.2039
137	V	A	0.0000
138	A	A	-0.0222
139	P	A	-0.0744
140	S	A	-0.1987