Project name: SH3_R107Y

Chain sequence(s)	A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	RA107Y
Energy difference between WT (input) and mutated protein (by FoldX)	0.544224 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: -3.1883
• Maximal score value: 1.2212
• Average score: -0.7297
• Total score value: -43.7843

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	-0.4621
82	S	A	-0.6977
83	H	A	-0.8032
84	M	A	0.2433
85	T	A	0.3909
86	F	A	0.6044
87	V	A	0.2378
88	A	A	0.0000
89	L	A	-0.3514
90	Y	A	-0.7548
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	-2.1540
97	E	A	-2.3526
98	T	A	-1.2408
99	D	A	-1.3222
100	L	A	0.0000
101	S	A	-1.9031
102	F	A	0.0000
103	K	A	-3.1883
104	K	A	-2.5233
105	G	A	-1.3111
106	E	A	0.0000
107	Y	A	0.7167	mutated: RA107Y
108	L	A	0.0000
109	Q	A	0.2616
110	I	A	0.6731
111	V	A	1.2212
112	N	A	-0.4325
113	N	A	-1.8138
114	T	A	-1.7326
115	E	A	-2.9361
116	G	A	-2.6085
117	D	A	-2.6844
118	W	A	-1.3421
119	W	A	-0.7000
120	L	A	0.3890
121	A	A	0.0000
122	H	A	-0.0016
123	S	A	0.0000
124	L	A	0.6838
125	T	A	0.1260
126	T	A	-0.4573
127	G	A	-0.7682
128	Q	A	-1.3896
129	T	A	-0.4955
130	G	A	0.0000
131	Y	A	0.2169
132	I	A	0.0000
133	P	A	0.0000
134	S	A	-1.2855
135	N	A	-1.2485
136	Y	A	-0.2260
137	V	A	0.0000
138	A	A	-0.0699
139	P	A	0.1092
140	S	A	0.2220