Project name: SH3_E107Y

Chain sequence(s)	A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation	10 Å
Dynamic mode	No
Mutated residues	EA107Y
Energy difference between WT (input) and mutated protein (by FoldX)	0.529246 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: -3.1037
• Maximal score value: 1.8021
• Average score: -0.9101
• Total score value: -51.8763

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
85	T	A	0.5173
86	L	A	0.7949
87	F	A	1.0261
88	V	A	0.6473
89	A	A	0.0000
90	L	A	-0.0415
91	Y	A	-0.4766
92	D	A	-2.4457
93	Y	A	-1.9186
94	E	A	-2.6392
95	A	A	-2.6287
96	R	A	-2.9863
97	T	A	-2.6617
98	E	A	-3.1037
99	D	A	-3.0441
100	D	A	0.0000
101	L	A	0.0000
102	S	A	-2.2007
103	F	A	0.0000
104	H	A	-2.4683
105	K	A	-2.1684
106	G	A	-1.1130
107	Y	A	-0.6434	mutated: EA107Y
108	K	A	-0.3096
109	F	A	0.0000
110	Q	A	-0.5112
111	I	A	-0.0542
112	L	A	0.1429
113	N	A	-0.8879
114	S	A	-1.1794
115	S	A	-1.5962
116	E	A	-2.5599
117	G	A	-2.1340
118	D	A	-2.4444
119	W	A	-1.1028
120	W	A	-1.0557
121	E	A	-1.1530
122	A	A	0.0000
123	R	A	-1.7187
124	S	A	0.0000
125	L	A	0.1700
126	T	A	-0.3098
127	T	A	-0.7496
128	G	A	-1.3642
129	E	A	-2.2444
130	T	A	-1.6972
131	G	A	-1.5002
132	Y	A	-0.8682
133	I	A	0.0000
134	P	A	0.0000
135	S	A	-0.9206
136	N	A	-1.1504
137	Y	A	-0.1243
138	V	A	0.0000
139	A	A	0.4203
140	P	A	0.7786
141	V	A	1.8021