Project name: SH3_S140Y

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	SA140Y
Energy difference between WT (input) and mutated protein (by FoldX)	-0.628302 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: -3.5014
• Maximal score value: 1.2871
• Average score: -0.8362
• Total score value: -50.1692

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	-0.4506
82	S	A	-0.6820
83	H	A	-0.7908
84	M	A	0.5874
85	T	A	0.0000
86	F	A	0.3479
87	V	A	-0.4147
88	A	A	0.0000
89	L	A	-0.3924
90	Y	A	-0.7742
91	D	A	-2.8537
92	Y	A	-2.1060
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	-1.9034
102	F	A	0.0000
103	K	A	-3.5014
104	K	A	-2.9015
105	G	A	-2.0199
106	E	A	0.0000
107	R	A	-1.8034
108	L	A	0.0000
109	Q	A	-0.2550
110	I	A	0.4521
111	V	A	1.2508
112	N	A	-0.4196
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	0.4052
121	A	A	0.0000
122	H	A	-0.3630
123	S	A	0.0000
124	L	A	-0.2343
125	T	A	-0.7391
126	T	A	-0.8591
127	G	A	-0.8153
128	Q	A	-1.4110
129	T	A	-0.4939
130	G	A	0.0000
131	Y	A	0.2197
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.2857
135	N	A	-1.2491
136	Y	A	-0.2481
137	V	A	0.0000
138	A	A	0.2666
139	P	A	0.5337
140	Y	A	1.2871	mutated: SA140Y